data_2doe_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 2doe _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 ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.933 0.397 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 6.4 ptmm? -53.56 -42.15 67.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.428 ' N ' ' HG3' ' A' ' 794' ' ' LYS . 98.8 mt -58.83 -39.42 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -64.2 -48.87 74.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.9 t -55.47 -49.3 72.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -56.34 -45.42 80.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -52.58 -59.41 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -52.12 -53.68 39.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 16.1 mt-10 -42.69 -56.76 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 35.5 tp -53.35 -66.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 25.6 mt -41.06 -60.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 50.4 p -52.19 -43.5 64.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.1 m-20 -57.11 -27.14 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.59 30.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.9 m170 33.81 54.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 51.6 mt -42.75 148.6 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.05 153.63 51.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.1 p -47.67 -38.27 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.74 26.92 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 m -65.57 138.69 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.27 120.92 32.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.404 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 27.8 t-105 -44.28 -51.07 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.0 p -50.29 -40.37 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -73.62 -61.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.77 -33.35 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 821' ' ' VAL . 22.1 ttpp -72.78 -45.08 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.11 -14.64 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -99.38 -40.11 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 827' ' ' TYR . 22.6 m -76.9 -29.59 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.94 -43.18 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 15.7 t -54.17 -30.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -83.96 140.03 40.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.623 0.725 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.9 Cg_endo -69.72 -24.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . 0.415 ' NH2' ' OD1' ' A' ' 824' ' ' ASP . 85.2 mtm-85 -59.22 -40.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.57 ' CD2' HG23 ' A' ' 821' ' ' VAL . 3.0 t80 -62.37 -27.21 68.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -72.81 -23.19 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.19 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.09 116.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.2 -41.46 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.6 t -74.08 123.45 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.9 m -66.08 -48.65 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.4 m -43.36 -44.3 5.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' MET . . . . . 0.42 ' O ' ' CG ' ' A' ' 839' ' ' LEU . 70.3 mmm -60.17 -38.19 82.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -64.48 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -53.96 -50.0 67.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -58.12 -59.67 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.42 ' CG ' ' O ' ' A' ' 835' ' ' MET . 54.5 mt -53.11 -60.28 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 817' ' ' VAL . 70.4 t80 -50.72 -52.39 40.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -56.51 -42.29 78.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -54.87 -58.94 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -52.46 -57.19 10.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 32.6 mm -52.68 -44.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.184 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.65 -44.55 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -62.41 -46.28 89.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.56 -64.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.797 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.939 0.399 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -48.45 -60.28 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 18.9 mt -44.44 -52.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -54.36 -49.38 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.8 t -51.87 -54.94 23.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -57.02 -40.9 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.487 ' CD2' HD12 ' A' ' 803' ' ' LEU . 16.7 t80 -56.44 -56.66 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.2 -45.68 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.95 -55.08 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 806' ' ' HIS . 16.8 tp -54.87 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 799' ' ' PHE . 24.9 mt -39.99 -60.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 11.2 t -52.79 -44.91 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -54.77 -26.76 36.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 807' ' ' HIS . 15.4 m-70 -82.86 33.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.2 p80 33.41 54.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 843' ' ' TYR . 33.4 mt -43.86 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 812' ' ' SER . 1.0 OUTLIER -147.08 168.88 20.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 56.2 p -64.17 -36.4 83.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -87.7 18.1 4.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.0 m -61.91 130.78 47.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -113.15 149.25 33.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 815' ' ' SER . 29.8 t-105 -66.34 -69.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 814' ' ' TRP . 50.0 m -35.07 -39.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.41 -64.1 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.418 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.6 OUTLIER -47.39 -28.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -76.0 -48.32 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.53 -16.69 64.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -92.8 -41.45 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 824' ' ' ASP . 35.0 m -77.66 -31.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -39.1 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 821' ' ' VAL . 2.2 t -84.67 27.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -136.07 139.86 31.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.78 -31.48 20.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -58.78 -35.37 72.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.5 ' CE2' ' HD3' ' A' ' 836' ' ' ARG . 14.2 t80 -64.02 -30.86 71.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -51.79 -49.13 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.53 129.99 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -88.03 -50.08 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 4.4 m -74.13 148.53 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.5 m -82.83 -48.29 10.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 55.2 m -45.11 -43.25 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.26 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.5 ' HD3' ' CE2' ' A' ' 827' ' ' TYR . 5.4 mtt85 -55.38 -56.84 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.94 -54.8 40.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -51.58 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.6 -55.31 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.1 -60.28 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -47.28 -45.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -51.23 -59.18 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 808' ' ' LEU . 9.3 t80 -50.88 -55.69 15.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.6 mm -51.41 -50.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -48.94 -45.38 41.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.45 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -48.44 -58.1 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 77.4 mt -47.1 -46.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.48 -60.09 4.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.5 t -43.47 -55.41 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 -53.3 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -49.0 -57.79 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -52.41 -50.84 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.34 -56.98 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.445 HD21 ' CG1' ' A' ' 821' ' ' VAL . 40.2 tp -53.21 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 39.4 mt -43.35 -63.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 92.8 p -48.67 -46.41 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -56.6 -26.84 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -84.11 30.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.9 m170 34.46 55.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 844' ' ' ILE . 68.1 mt -43.24 164.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.73 175.69 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 13.8 t -71.52 -40.81 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -85.78 30.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.8 p -65.58 124.18 21.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 814' ' ' TRP . 2.3 mmp_? -103.32 106.09 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.45 ' C ' ' O ' ' A' ' 813' ' ' ARG . 29.5 t-105 -34.3 -61.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.5 p -40.62 -41.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 813' ' ' ARG . 12.9 mmtm -72.54 -63.95 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -47.79 -26.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -79.8 -41.18 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . 0.409 ' C ' ' HG2' ' A' ' 822' ' ' GLU . 4.3 t70 -71.42 -17.23 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -91.79 -39.95 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 827' ' ' TYR . 35.5 m -80.1 -35.32 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . 0.409 ' HG2' ' C ' ' A' ' 819' ' ' ASP . 10.4 pt-20 -39.29 -27.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 821' ' ' VAL . 1.3 t -84.69 25.98 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.9 t70 -136.52 139.95 30.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.78 21.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -59.97 -35.29 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 821' ' ' VAL . 2.1 t80 -62.5 -29.21 70.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -71.06 -26.15 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -43.2 -44.62 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 836' ' ' ARG . 60.1 t -78.18 115.16 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.5 -47.18 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 72.4 m -72.01 110.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 7.2 m -46.24 -41.87 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 835' ' ' MET . 15.8 m -50.96 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 834' ' ' SER . 96.9 mmm -34.41 -48.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.462 ' HG3' ' CG1' ' A' ' 830' ' ' VAL . 49.8 mtm180 -59.13 -56.65 19.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.43 -54.54 45.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.57 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.22 -57.87 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -49.24 -55.64 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -53.59 -47.03 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -51.44 -64.92 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -42.73 -58.42 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 19.3 mm -52.6 -53.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -43.06 -44.32 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -65.06 -47.0 78.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 85.2 mt -52.68 -65.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 795' ' ' ILE . 19.6 ptmt -55.45 -52.67 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.474 HD13 ' CG ' ' A' ' 794' ' ' LYS . 4.3 mp -46.59 -51.83 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -47.38 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.5 t -53.13 -56.46 16.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . 0.565 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -58.2 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.568 ' CD2' HD13 ' A' ' 839' ' ' LEU . 12.1 t80 -39.64 -49.61 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -62.69 -46.62 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 0.1 OUTLIER -50.18 -47.68 54.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 821' ' ' VAL . 16.7 tp -61.19 -60.69 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 35.0 mt -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 95.5 p -51.55 -32.18 27.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 12.7 m-20 -75.22 -22.61 57.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.9 m170 -84.21 32.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 806' ' ' HIS . 1.6 t-80 34.59 54.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 25.5 mt -48.75 168.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 810' ' ' SER . 0.9 OUTLIER -151.92 160.8 43.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 89.6 p -55.69 -42.11 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -88.36 30.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 32.4 m -83.78 125.36 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -98.58 149.07 23.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.531 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 40.5 t-105 -63.39 -69.11 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.3 t -33.78 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 814' ' ' TRP . 34.7 mmtt -74.34 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.531 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 1.0 OUTLIER -53.86 -43.73 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.507 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 3.4 ptmm? -68.42 -36.05 78.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -80.79 -32.27 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 827' ' ' TYR . 34.1 m -82.52 -29.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 821' ' ' VAL . 8.5 pt-20 -36.38 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 27.6 m -84.19 30.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.2 t70 -140.09 139.99 22.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.75 -26.38 27.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -64.11 -31.47 72.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.555 ' CD2' HG23 ' A' ' 821' ' ' VAL . 2.6 t80 -67.86 -22.53 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -79.29 -16.36 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.62 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 13.5 t -75.82 137.45 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -113.25 -34.31 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m -81.28 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 79.0 p -53.99 -45.37 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.2 t -46.12 -41.81 12.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 76.1 mmm -69.09 -38.75 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.494 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 4.4 mmt85 -54.17 -57.23 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -55.66 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -47.57 -59.33 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 799' ' ' PHE . 39.0 mt -50.53 -55.58 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 814' ' ' TRP . 50.9 t80 -53.01 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -49.24 -41.96 39.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.8 -58.69 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -50.73 -56.0 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 5.0 mm -48.71 -52.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -49.87 -41.92 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -62.84 -39.54 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -62.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -57.97 -60.22 4.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 830' ' ' VAL . 5.0 mp -55.1 -39.9 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -57.57 -47.55 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 61.6 p -64.57 -52.95 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.18 -50.41 64.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.78 -52.39 60.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -54.46 -51.28 65.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.0 -59.17 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.417 HD23 ' CG1' ' A' ' 821' ' ' VAL . 51.0 tp -49.52 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 23.3 mt -43.01 -65.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 54.8 p -47.68 -45.44 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.61 -26.49 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 10.2 m-70 -83.57 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 28.6 m80 33.19 54.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 843' ' ' TYR . 75.2 mt -44.94 163.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.71 179.51 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 90.0 p -76.58 -30.07 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -95.91 26.59 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.2 m -73.18 130.11 39.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -111.48 140.67 45.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 815' ' ' SER . 31.7 t-105 -54.54 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 814' ' ' TRP . 25.6 m -34.27 -41.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.3 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.411 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -48.61 -27.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -75.01 -48.14 25.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.31 -22.74 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -83.41 -42.48 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 827' ' ' TYR . 27.6 m -76.94 -29.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.43 -28.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 58.0 p -86.96 26.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.0 t70 -135.34 140.18 33.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.78 -31.69 19.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -59.5 -30.31 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.592 ' CZ ' ' NH1' ' A' ' 836' ' ' ARG . 3.1 t80 -70.98 -12.96 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -86.88 1.84 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -74.71 -54.71 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 795' ' ' ILE . 9.0 t -59.98 149.27 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -112.49 -54.06 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.5 t -77.05 148.83 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 35.7 p -80.58 -40.32 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.2 p -54.8 -43.44 72.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 91.3 mmm -56.16 -36.78 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.592 ' NH1' ' CZ ' ' A' ' 827' ' ' TYR . 7.0 mtp180 -68.28 -59.99 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 841' ' ' LYS . 0.7 OUTLIER -51.22 -39.06 55.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.14 -56.4 6.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -60.37 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -50.86 -54.88 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 837' ' ' GLU . 40.8 mtpt -52.85 -45.7 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.14 -54.24 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.56 ' CD1' HD11 ' A' ' 808' ' ' LEU . 12.0 t80 -54.99 -58.31 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 36.4 mm -51.02 -47.26 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -51.07 -45.22 61.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.29 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.42 -63.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 179.813 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.922 0.392 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -66.77 -60.56 2.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.9 mt -44.94 -33.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -73.26 -53.41 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 32.2 t -53.32 -44.22 68.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.62 -53.6 52.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -46.42 -50.2 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -38.06 -51.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 806' ' ' HIS . 53.9 tp -56.97 -62.72 1.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 82.9 mt -43.33 -62.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 79.4 p -49.66 -40.32 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 77.8 m-20 -63.74 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.473 ' CE1' HG11 ' A' ' 821' ' ' VAL . 9.5 m-70 -82.35 36.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 806' ' ' HIS . 12.5 t60 32.96 55.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 843' ' ' TYR . 41.0 mt -46.31 168.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.74 177.1 11.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 80.6 p -68.36 -50.96 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -84.5 30.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 t -75.55 121.11 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -97.6 148.18 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.463 ' CE2' ' HD2' ' A' ' 818' ' ' LYS . 29.4 t-105 -61.96 -69.01 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 814' ' ' TRP . 43.5 m -36.39 -35.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -73.63 -57.96 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 818' ' ' LYS . 0.5 OUTLIER -53.6 -43.03 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.504 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 9.0 ptmt -70.97 -32.36 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 815' ' ' SER . 5.5 m-20 -71.08 -23.0 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -93.7 -35.83 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 824' ' ' ASP . 10.8 m -77.08 -29.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 821' ' ' VAL . 9.5 pt-20 -35.95 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 821' ' ' VAL . 38.0 p -83.73 29.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.0 t70 -136.6 140.03 31.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.73 -27.81 26.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.4 -29.55 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.469 ' CD2' HG23 ' A' ' 821' ' ' VAL . 3.0 t80 -69.26 -21.71 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -84.33 -10.35 57.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.81 93.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 46.1 t -82.99 120.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.31 -44.84 7.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.4 t -70.36 116.06 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 95.7 p -57.07 -49.81 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 34.9 m -44.92 -41.38 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 84.8 mmm -63.41 -49.04 75.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -55.86 -48.54 75.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.74 -55.99 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.0 -57.85 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 67.9 mt -46.91 -59.86 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -50.95 -59.07 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -48.25 -45.44 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -54.53 -56.26 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.503 ' CD1' HD13 ' A' ' 808' ' ' LEU . 10.7 t80 -54.64 -58.27 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.2 mm -50.07 -55.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -44.92 -47.28 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.79 -46.72 84.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.02 -65.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.911 0.386 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -64.32 -49.9 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.54 -44.43 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -55.86 -52.04 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.3 t -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.07 -61.23 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -41.39 -59.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -50.18 -56.69 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -41.2 -51.09 3.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.405 ' CD2' ' HB ' ' A' ' 821' ' ' VAL . 36.9 tp -57.65 -62.14 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 46.7 mt -42.84 -62.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 15.1 t -48.34 -43.02 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -61.57 -25.53 67.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.0 m-70 -82.61 33.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 806' ' ' HIS . 39.2 m80 34.34 54.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 25.7 mt -46.8 174.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -158.43 178.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 50.5 m -74.61 -37.29 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -93.2 29.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.8 m -90.02 123.5 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -95.51 170.35 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.491 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.3 t-105 -75.33 -69.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 814' ' ' TRP . 18.5 m -36.11 -34.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 814' ' ' TRP . 16.5 mmtm -74.66 -59.18 2.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 818' ' ' LYS . 0.5 OUTLIER -51.82 -41.61 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.481 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 3.4 ptmm? -70.46 -36.89 74.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.3 -26.96 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -85.83 -36.97 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 827' ' ' TYR . 17.4 m -80.96 -28.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 821' ' ' VAL . 1.3 pp20? -36.5 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 821' ' ' VAL . 11.6 t -83.24 28.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -135.79 140.4 33.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -29.31 23.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.44 -34.11 77.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.56 ' CD2' HG23 ' A' ' 821' ' ' VAL . 4.1 t80 -65.23 -21.72 66.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -80.98 -22.89 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -52.56 -50.36 63.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.04 119.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -92.57 -43.42 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 130.69 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 82.9 p -70.72 -45.48 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.2 t -49.28 -45.24 44.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 82.3 mmm -57.97 -45.86 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.491 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 86.7 mtt180 -55.34 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -54.65 -60.46 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . 0.477 ' OD1' ' NE2' ' A' ' 842' ' ' GLN . 3.5 t70 -45.45 -58.67 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 63.7 mt -50.03 -54.13 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.96 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -47.21 -38.38 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 838' ' ' ASP . 34.0 mt-30 -62.23 -54.71 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -54.62 -54.36 42.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 4.8 mm -53.72 -54.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -46.36 -42.35 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.67 -47.16 82.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.3 -64.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.779 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.56 -52.83 27.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -58.21 -44.78 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -57.6 -44.99 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.7 t -59.79 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.19 -52.22 59.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.411 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.0 t80 -51.85 -54.69 26.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -55.47 -46.58 76.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.4 -58.97 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.68 -59.28 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 799' ' ' PHE . 53.1 mt -43.27 -64.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 52.7 p -48.04 -42.59 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.59 -27.23 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 10.2 m-70 -81.24 38.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.0 t60 32.93 54.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 30.2 mt -46.51 156.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.2 p-10 -134.01 176.14 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 25.1 p -70.8 -44.63 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -94.33 29.5 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' SER . . . . . 0.403 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 7.6 t -67.83 124.07 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -95.24 143.17 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.472 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 28.6 t-105 -64.92 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 814' ' ' TRP . 8.7 t -34.93 -43.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -70.1 -64.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.472 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -48.48 -26.71 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.427 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 17.8 ttpp -76.42 -44.28 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . 0.452 ' OD1' ' C ' ' A' ' 819' ' ' ASP . 0.3 OUTLIER -68.52 -22.53 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -89.59 -39.4 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 823' ' ' SER . 31.8 m -76.99 -30.19 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -38.93 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.2 t -85.07 29.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.7 t70 -132.03 139.81 36.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.82 -31.27 20.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -61.5 -37.01 82.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 3.0 t80 -62.05 -23.49 66.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -77.92 -27.38 49.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -53.14 -42.54 66.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.54 123.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.07 -44.01 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.4 m -70.06 105.96 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 71.9 m -49.87 -48.0 51.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.8 m -43.92 -44.34 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 71.2 mmm -58.82 -42.56 89.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -59.94 -53.21 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -62.39 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -49.16 -61.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.2 mt -46.03 -60.84 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -48.25 -57.77 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -49.46 -48.92 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.11 -60.27 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -47.54 -54.6 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.5 mm -54.86 -47.68 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.43 -41.95 41.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -65.7 -46.99 76.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 92.9 mt -54.11 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.822 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -54.35 -58.75 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.7 mt -45.35 -43.72 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -62.5 -60.13 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 16.7 t -41.88 -57.59 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.48 -42.93 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -54.36 -60.34 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.79 -52.92 45.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.79 -52.03 6.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.45 -59.74 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 83.7 mt -44.76 -59.51 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -50.75 -41.92 57.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.36 -25.57 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.646 ' CE1' ' CG1' ' A' ' 821' ' ' VAL . 8.3 m-70 -81.08 36.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.475 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.6 t-80 32.16 55.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 843' ' ' TYR . 95.3 mt -45.68 170.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -156.85 -179.97 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.5 p -69.24 -55.74 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.72 22.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 5.6 p -51.45 119.96 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -88.9 135.11 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 815' ' ' SER . 39.3 t-105 -67.55 -68.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.7 t -33.43 -41.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -63.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -29.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 821' ' ' VAL . 22.8 ttpp -76.12 -41.76 49.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.45 -14.12 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -100.18 -35.61 9.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.646 ' CG1' ' CE1' ' A' ' 806' ' ' HIS . 27.8 m -80.92 -29.18 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -48.64 -36.01 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.5 t -54.07 -30.32 47.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.6 t70 -86.93 140.18 32.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.4 Cg_endo -69.79 -27.84 25.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -58.08 -37.21 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 821' ' ' VAL . 6.7 t80 -60.87 -32.5 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -68.46 -22.88 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.26 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.28 96.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.21 -40.16 71.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 35.8 t -70.84 119.38 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.0 m -65.07 -44.35 89.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 20.3 m -48.41 -41.32 28.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 69.3 mmm -61.56 -41.19 97.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.92 -57.56 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . 0.428 ' O ' ' CD ' ' A' ' 841' ' ' LYS . 13.2 mt-10 -61.63 -48.27 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.21 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 62.0 mt -48.74 -59.53 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -47.5 -55.91 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 837' ' ' GLU . 18.1 mtpp -53.83 -50.3 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -48.48 -57.02 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.564 ' CE1' HD12 ' A' ' 808' ' ' LEU . 14.2 t80 -52.77 -56.56 14.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 21.8 mm -51.6 -46.19 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -52.17 -45.69 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.4 -43.96 96.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.72 -61.94 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.832 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.01 -54.36 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 26.5 mt -53.81 -53.88 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -51.14 -39.21 55.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 40.6 t -59.96 -53.77 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.45 -46.67 63.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.434 ' CD2' HD11 ' A' ' 839' ' ' LEU . 12.7 t80 -53.49 -54.25 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -54.28 -47.17 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.29 -57.04 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 35.0 tp -52.7 -61.43 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 48.2 mt -42.45 -64.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 33.4 p -47.32 -43.5 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -83.33 33.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.6 t-80 33.91 54.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 843' ' ' TYR . 31.1 mt -44.86 157.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.7 p-10 -136.17 166.8 22.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.9 p -60.35 -49.36 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -87.66 30.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 25.4 t -63.15 122.58 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -94.11 123.94 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 25.2 t-105 -50.59 -54.24 24.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.6 t -46.51 -38.98 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -74.96 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.462 HG13 ' CE1' ' A' ' 840' ' ' PHE . 0.6 OUTLIER -47.76 -31.19 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 18.0 ttpp -74.64 -49.35 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.86 -13.3 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -92.68 -36.23 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.544 HG21 ' CD2' ' A' ' 827' ' ' TYR . 34.4 m -85.84 -29.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -38.84 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 22.8 t -85.23 29.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.7 t70 -137.71 139.72 27.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.74 -32.08 19.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -61.37 -32.58 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 821' ' ' VAL . 2.1 t80 -66.85 -23.08 65.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -73.82 -20.78 60.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.46 -51.83 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.35 113.69 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -82.14 -51.22 8.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 t -72.82 136.99 45.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 45.9 m -73.65 -41.71 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.1 m -48.48 -41.79 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 86.2 mmm -59.93 -45.62 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.564 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 84.1 mtm-85 -55.72 -50.81 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -63.55 -60.24 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -47.4 -61.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 799' ' ' PHE . 83.6 mt -48.31 -60.69 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . 0.462 ' CE1' HG13 ' A' ' 817' ' ' VAL . 66.7 t80 -44.6 -54.22 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.24 -45.62 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -52.96 -58.73 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.512 ' CD1' HD11 ' A' ' 808' ' ' LEU . 13.6 t80 -51.96 -59.83 3.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 40.3 mm -50.98 -43.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.25 -43.66 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -62.98 -47.58 82.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 79.0 mt -53.36 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.71 -52.19 60.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.2 mt -48.02 -42.81 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -62.19 -55.99 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 15.0 t -48.9 -55.18 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -51.2 -47.57 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.469 ' CE2' HD13 ' A' ' 803' ' ' LEU . 18.2 t80 -49.79 -56.89 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.41 -53.97 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.427 ' O ' ' ND2' ' A' ' 805' ' ' ASN . 37.2 mt-10 -40.59 -59.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.418 HD12 ' CD2' ' A' ' 806' ' ' HIS . 44.0 tp -54.71 -60.43 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 799' ' ' PHE . 93.9 mt -40.23 -55.4 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 28.0 p -55.26 -43.41 74.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 801' ' ' GLU . 2.2 m-80 -59.16 -24.26 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.479 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.9 m-70 -81.43 35.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 806' ' ' HIS . 4.8 m170 31.82 55.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 843' ' ' TYR . 76.0 mt -43.97 168.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -158.12 161.8 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 46.3 p -63.61 -14.82 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -118.8 27.29 8.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.1 t -74.78 124.39 26.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -92.14 152.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 23.6 t-105 -71.62 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 m -39.59 -40.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -72.84 -63.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.42 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -48.32 -28.57 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -75.52 -47.63 26.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -65.5 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -89.66 -40.31 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.515 HG23 ' CD2' ' A' ' 827' ' ' TYR . 29.2 m -78.81 -29.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -39.1 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.1 t -85.05 26.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.7 t70 -138.31 139.93 26.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.1 Cg_endo -69.75 -31.71 20.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -59.44 -38.26 80.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.515 ' CD2' HG23 ' A' ' 821' ' ' VAL . 8.2 t80 -60.14 -27.63 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -73.55 -29.43 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -43.01 -46.19 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.87 130.07 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -104.96 -44.14 4.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 29.5 t -72.48 114.07 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.4 m -52.47 -44.89 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 3.2 t -47.68 -46.53 29.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.71 -38.2 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.476 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 90.2 mtt180 -66.06 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.54 -47.8 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.08 -64.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.9 mt -49.49 -57.52 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -49.78 -59.97 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -49.74 -50.51 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -45.81 -55.37 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.413 ' CD1' ' CD1' ' A' ' 808' ' ' LEU . 12.6 t80 -52.98 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.7 mm -49.13 -54.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -44.3 -48.03 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.61 -48.17 80.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.69 -65.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.776 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.388 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -53.88 -56.98 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 17.4 mt -46.58 -42.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -60.82 -54.0 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 68.2 m -52.29 -55.31 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.03 -51.38 31.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.455 ' CE2' HD13 ' A' ' 803' ' ' LEU . 19.2 t80 -49.76 -56.33 10.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -50.14 -50.43 48.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.59 -59.19 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 41.8 tp -49.5 -65.02 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 799' ' ' PHE . 37.3 mt -40.88 -64.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.3 t -47.21 -44.2 22.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -57.88 -28.73 64.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.27 34.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 56.4 m-70 33.25 55.0 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 42.5 mt -44.25 159.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -137.33 164.22 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 71.2 m -62.69 -38.38 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.61 29.93 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 10.1 t -69.28 130.65 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.31 139.19 34.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.453 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.3 t-105 -63.02 -55.68 23.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -44.17 -40.69 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -73.1 -63.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.453 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.6 OUTLIER -47.65 -29.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -75.07 -48.33 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -22.33 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -85.99 -41.94 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 824' ' ' ASP . 26.8 m -77.17 -29.94 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.8 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 821' ' ' VAL . 50.3 m -84.87 26.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.6 t70 -135.96 139.86 31.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.75 -28.17 25.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -62.12 -35.48 78.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -64.2 -24.52 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -78.39 -21.01 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.63 -54.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 3.9 t -67.83 106.66 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -66.57 -57.11 7.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 127.96 34.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 21.9 m -66.1 -42.19 89.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.0 m -47.83 -45.2 29.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 79.7 mmm -52.83 -57.27 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.43 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 65.1 mtm180 -51.47 -60.95 2.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -45.91 -44.24 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.35 -65.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.448 HD13 ' CD2' ' A' ' 799' ' ' PHE . 81.5 mt -41.39 -51.62 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.81 -51.23 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.25 -41.02 83.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -56.77 -61.54 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -48.18 -53.63 16.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 10.2 mm -56.28 -49.83 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -47.68 -39.66 17.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -67.74 -49.42 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 80.8 mt -51.2 -66.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.794 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.943 0.401 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -46.53 -55.08 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.433 ' CG2' HG22 ' A' ' 830' ' ' VAL . 39.1 mt -55.72 -48.7 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -44.43 81.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.9 t -58.91 -45.97 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.63 -47.84 81.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' A' ' 803' ' ' LEU . 27.7 t80 -52.17 -55.73 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -54.25 -50.86 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -44.35 -53.82 6.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.06 -64.17 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 799' ' ' PHE . 42.2 mt -42.46 -60.21 1.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 93.4 p -52.35 -42.41 63.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 62.7 m-20 -58.85 -25.7 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.6 m-70 -82.14 35.16 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.3 OUTLIER 33.29 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 96.7 mt -44.45 156.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.83 167.55 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 22.7 p -69.76 -10.24 57.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -118.11 29.83 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 7.0 m -77.01 127.1 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -102.89 123.44 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.508 ' CE2' ' HD3' ' A' ' 818' ' ' LYS . 26.6 t-105 -45.74 -68.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 814' ' ' TRP . 61.7 p -34.8 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -70.61 -63.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.402 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.4 OUTLIER -49.08 -27.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 19.6 ttpt -73.0 -51.57 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -66.1 -14.92 62.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -91.14 -41.51 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.52 HG21 ' CD2' ' A' ' 827' ' ' TYR . 33.8 m -77.52 -29.76 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -38.77 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.8 m -83.54 24.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.8 t70 -133.05 139.97 36.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.71 -31.8 20.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -61.05 -37.92 84.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.52 ' CD2' HG21 ' A' ' 821' ' ' VAL . 10.9 t80 -62.43 -25.01 67.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -76.66 -26.7 55.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.06 -54.15 17.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.433 HG22 ' CG2' ' A' ' 795' ' ' ILE . 48.2 t -70.89 107.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.9 -43.06 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 24.6 m -71.16 118.92 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 31.1 t -61.05 -49.49 77.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -44.13 -41.74 5.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 81.5 mmm -59.23 -49.19 78.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -60.5 -56.3 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.72 -54.43 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.95 -65.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 79.1 mt -44.08 -54.85 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.18 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -46.68 -44.11 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.07 -53.55 51.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.54 -53.37 47.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.0 mm -57.45 -47.47 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -49.83 -40.42 41.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.25 -53.14 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 77.6 mt -47.2 -64.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.836 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.939 0.4 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -59.52 -67.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.462 ' CG2' HG23 ' A' ' 830' ' ' VAL . 26.9 mt -43.44 -49.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -52.12 -45.1 64.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.5 m -63.86 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -46.94 -47.86 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 836' ' ' ARG . 19.5 t80 -52.53 -57.67 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . 0.525 ' CZ ' HD23 ' A' ' 839' ' ' LEU . 19.1 m-85 -54.38 -46.05 72.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -47.18 -56.48 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 14.3 tp -57.46 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 85.8 mt -48.85 -62.52 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 15.2 t -48.62 -40.05 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -62.57 -28.26 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.602 ' CE1' ' CG1' ' A' ' 821' ' ' VAL . 8.3 m170 -76.75 44.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.508 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.6 OUTLIER 29.55 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.525 HD11 ' CE1' ' A' ' 843' ' ' TYR . 78.6 mt -49.43 139.0 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -125.4 179.09 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 68.6 p -70.86 -43.06 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -95.35 29.18 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.4 t -63.9 122.64 16.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -94.86 137.83 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.465 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 44.6 t-105 -62.83 -66.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 814' ' ' TRP . 21.4 m -33.72 -40.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -70.7 -62.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.465 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -50.12 -28.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -74.43 -44.51 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.19 -16.87 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -94.77 -38.71 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.602 ' CG1' ' CE1' ' A' ' 806' ' ' HIS . 30.9 m -77.23 -33.24 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -39.56 -25.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.5 t -84.63 24.73 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.1 t70 -133.7 139.9 35.05 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -30.79 21.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -60.77 -36.85 79.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.456 ' CD2' HG22 ' A' ' 821' ' ' VAL . 5.2 t80 -60.4 -27.76 67.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -74.48 -27.54 60.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.36 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 795' ' ' ILE . 6.3 t -73.37 131.63 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -96.46 -54.79 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 75.5 m -70.72 110.58 5.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 97.2 p -51.85 -39.96 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.0 m -48.43 -38.53 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.0 mmm -64.72 -48.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 799' ' ' PHE . 87.8 mtt180 -52.09 -50.52 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.31 -56.72 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -49.41 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.525 HD23 ' CZ ' ' A' ' 800' ' ' PHE . 60.0 mt -46.91 -50.88 18.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.41 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -45.72 -43.32 12.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -54.93 -57.53 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.525 ' CE1' HD11 ' A' ' 808' ' ' LEU . 11.5 t80 -50.81 -55.44 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 18.7 mm -51.57 -47.25 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.33 -42.7 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -63.36 -46.91 84.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 84.6 mt -53.82 -65.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.958 0.408 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -44.43 -58.4 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.78 -51.42 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -49.16 -43.55 42.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 8.2 t -59.51 -56.81 17.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . 0.553 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -52.87 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.553 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 10.9 t80 -42.51 -61.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -50.35 -55.98 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 29.8 mt-10 -40.57 -58.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 806' ' ' HIS . 58.2 tp -51.96 -67.19 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 59.3 mt -39.18 -60.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 76.6 p -52.76 -40.07 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.8 m-20 -62.0 -24.3 66.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.473 ' CD2' HD12 ' A' ' 802' ' ' LEU . 19.8 m-70 -83.85 31.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 806' ' ' HIS . 85.4 m-70 35.31 54.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 843' ' ' TYR . 89.3 mt -43.72 166.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -153.15 162.43 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 86.5 p -59.03 -17.01 21.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -110.12 26.22 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' SER . . . . . 0.447 ' OG ' ' CD1' ' A' ' 844' ' ' ILE . 6.8 p -65.68 122.16 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -102.11 114.1 27.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.415 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 30.0 t-105 -42.92 -54.28 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -47.02 -39.48 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -74.69 -63.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.415 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.7 OUTLIER -47.61 -29.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -76.38 -48.54 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -66.84 -16.1 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -93.58 -40.52 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 823' ' ' SER . 31.9 m -77.37 -29.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -38.71 -26.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 4.5 t -83.09 24.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 10.7 t70 -137.25 140.63 31.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.468 ' HA ' ' CE ' ' A' ' 828' ' ' LYS . 53.8 Cg_endo -69.76 -32.99 17.51 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . 0.416 ' NH2' HD11 ' A' ' 802' ' ' LEU . 49.9 mtm180 -52.55 -41.96 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.2 t80 -62.52 -36.76 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 825' ' ' PRO . 8.1 mtmt -71.52 -19.68 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 836' ' ' ARG . 42.2 t -63.16 122.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -93.93 -52.78 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 51.4 m -71.97 120.08 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 86.7 p -61.6 -41.5 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 26.4 t -48.43 -42.85 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 80.0 mmm -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.425 ' HG3' ' CG1' ' A' ' 830' ' ' VAL . 46.6 mtm180 -55.77 -61.39 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.94 -55.66 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.59 -61.09 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.1 -52.48 34.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.95 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -50.74 -39.17 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -56.52 -55.83 28.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.57 ' CD1' HD13 ' A' ' 808' ' ' LEU . 13.5 t80 -55.9 -54.63 42.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . 0.447 ' CD1' ' OG ' ' A' ' 812' ' ' SER . 27.9 mm -54.06 -45.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.59 -44.66 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.72 -64.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.782 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.933 0.397 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -54.5 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 830' ' ' VAL . 18.2 mt -44.27 -45.11 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -60.35 -57.25 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.3 t -53.59 -58.35 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 798' ' ' ASP . 0.7 OUTLIER -48.52 -60.76 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.474 ' CD2' HD13 ' A' ' 839' ' ' LEU . 9.6 t80 -38.38 -54.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.17 -51.8 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.22 -65.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 44.4 tp -45.86 -66.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 77.0 mt -39.64 -61.34 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 13.6 t -51.82 -40.11 59.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -59.95 -27.15 66.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.556 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.5 m170 -78.76 43.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.488 ' C ' ' O ' ' A' ' 806' ' ' HIS . 93.8 m-70 31.06 55.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 843' ' ' TYR . 86.4 mt -50.64 155.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -162.07 176.78 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 37.5 p -59.12 -39.27 81.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -84.65 30.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 69.2 p -76.55 120.48 21.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -106.82 136.62 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.2 t-105 -64.42 -57.77 8.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.6 m -42.24 -44.03 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -71.75 -63.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.61 -26.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 821' ' ' VAL . 26.9 tttp -81.11 -40.01 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.98 -18.6 61.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.32 -34.7 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 827' ' ' TYR . 27.2 m -79.55 -31.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -44.76 -22.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.2 t -86.1 25.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.7 t70 -135.02 139.82 33.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.522 0.677 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.2 Cg_endo -69.82 -31.84 19.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -63.53 -30.56 71.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.56 ' CD2' HG22 ' A' ' 821' ' ' VAL . 8.8 t80 -66.94 -24.75 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.55 -16.56 55.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 795' ' ' ILE . 9.6 t -85.76 116.89 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -86.46 -51.53 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.7 t -71.19 115.06 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 39.9 t -56.6 -35.43 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.5 m -54.53 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' MET . . . . . 0.419 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 83.7 mmm -66.62 -46.22 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.496 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 78.2 mtt180 -55.55 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.21 -47.8 75.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.36 -65.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 799' ' ' PHE . 80.6 mt -46.62 -52.36 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -52.08 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -50.52 -44.87 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -50.51 -61.21 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 804' ' ' SER . 19.5 t80 -49.4 -60.91 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.95 -50.01 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.06 -50.17 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -55.23 -41.71 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 76.1 mt -62.02 -64.06 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.796 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.918 0.389 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -63.55 -55.21 25.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.8 mt -53.01 -52.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -49.45 77.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 7.7 t -55.23 -58.91 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -48.81 -47.26 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -52.45 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -47.86 -47.29 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -48.04 -61.19 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 47.3 tp -49.89 -62.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 66.9 mt -39.47 -63.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 10.5 p -49.68 -40.19 39.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.09 -26.9 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.7 m-70 -83.69 31.41 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.8 m-70 33.89 54.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 844' ' ' ILE . 72.8 mt -47.28 157.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -143.3 170.56 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.3 p -65.4 -24.62 67.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -101.35 30.18 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 26.3 p -63.15 127.4 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 816' ' ' LYS . 1.1 tpm_? -104.62 100.31 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 813' ' ' ARG . 27.0 t-105 -36.5 -47.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 57.9 m -52.97 -42.69 65.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 813' ' ' ARG . 14.4 mmtp -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 818' ' ' LYS . 0.5 OUTLIER -49.32 -37.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.406 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 21.9 ttpp -66.88 -47.82 70.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.42 -15.81 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 -36.93 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 824' ' ' ASP . 30.1 m -82.32 -29.84 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -41.39 -25.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 821' ' ' VAL . 70.6 m -83.96 20.92 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.6 t70 -128.97 139.91 37.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.93 21.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -59.67 -35.91 75.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.96 -27.9 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -77.66 -23.33 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.19 55.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 43.5 t -73.1 92.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.22 -48.78 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.1 t -72.24 155.45 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 13.6 m -93.64 -42.07 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 12.4 t -48.53 -42.84 34.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' MET . . . . . 0.433 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 78.2 mmm -57.47 -47.8 80.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -54.9 -52.35 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.92 -62.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -46.45 -64.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 74.7 mt -47.39 -43.91 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.5 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -51.86 -48.79 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.48 -55.45 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -53.17 -62.33 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 31.7 mm -48.21 -46.1 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.89 -41.07 64.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -64.85 -44.39 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.31 -65.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.796 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -52.67 -59.93 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 23.4 mt -49.62 -40.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -62.52 -49.08 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 5.8 m -55.08 -55.0 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.29 -43.22 67.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.482 ' CD2' HD12 ' A' ' 839' ' ' LEU . 16.0 t80 -52.74 -60.25 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -51.03 -54.33 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 55.1 mt-10 -43.31 -54.4 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 24.4 tp -55.07 -62.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.446 HD12 ' CE2' ' A' ' 799' ' ' PHE . 48.0 mt -41.16 -62.68 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.977 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 26.4 t -49.26 -39.84 32.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 33.8 m-20 -63.09 -25.62 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.59 ' CE1' ' CG1' ' A' ' 821' ' ' VAL . 8.8 m-70 -81.15 38.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.2 t-160 32.11 54.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 843' ' ' TYR . 75.0 mt -47.47 165.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 810' ' ' SER . 0.7 OUTLIER -157.56 165.72 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 809' ' ' ASP . 81.9 p -59.72 -42.54 93.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -89.97 30.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 35.0 t -72.32 125.4 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 813' ' ' ARG . 5.4 mmm180 -98.21 132.59 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.422 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.2 t-105 -56.65 -61.27 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.5 m -40.19 -39.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -73.42 -64.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.422 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -47.74 -28.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -76.91 -46.04 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -16.71 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -92.81 -31.68 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.59 ' CG1' ' CE1' ' A' ' 806' ' ' HIS . 34.2 m -89.59 -29.13 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 823' ' ' SER . 20.9 pt-20 -46.16 -45.34 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 21.9 t -48.18 -30.36 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -86.3 140.19 34.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.6 Cg_endo -69.7 -28.81 25.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -56.68 -37.52 70.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 821' ' ' VAL . 5.8 t80 -61.01 -34.48 74.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.26 -26.3 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -45.11 -58.36 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.442 ' O ' ' NH1' ' A' ' 836' ' ' ARG . 59.9 t -66.24 99.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -75.37 -37.01 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 56.1 m -74.2 118.74 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 37.9 t -62.69 -52.25 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.6 m -42.12 -42.37 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.4 mmm -63.82 -42.35 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 830' ' ' VAL . 82.6 mtm-85 -56.08 -55.68 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.7 -56.49 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.09 -61.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 799' ' ' PHE . 70.3 mt -48.52 -58.32 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -50.9 -62.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -47.77 -45.42 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -52.6 -56.94 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.564 ' CD1' HD13 ' A' ' 808' ' ' LEU . 17.5 t80 -51.34 -60.34 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.0 mm -50.56 -50.49 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -47.11 -43.76 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -62.98 -48.89 76.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 79.7 mt -51.92 -66.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.841 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.918 0.389 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -51.23 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -54.14 -58.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -44.42 -50.79 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.4 t -52.72 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . 0.561 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -41.18 -55.69 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.561 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 20.2 t80 -41.52 -59.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.59 -55.47 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -41.13 -59.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.451 HD23 ' CG1' ' A' ' 821' ' ' VAL . 57.3 tp -50.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 33.8 mt -41.6 -64.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -47.43 -44.49 24.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -57.08 -28.27 62.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.8 m-70 -81.09 37.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.4 t-80 31.93 55.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 93.3 mt -46.63 153.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.6 OUTLIER -134.7 172.41 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 2.6 t -68.35 -28.25 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -106.03 29.19 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 10.5 t -65.4 125.13 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -93.91 142.36 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.466 ' CZ2' ' HB3' ' A' ' 836' ' ' ARG . 28.1 t-105 -69.71 -46.92 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t -52.66 -43.61 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -71.29 -62.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 818' ' ' LYS . 0.5 OUTLIER -46.32 -38.52 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . 0.425 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 18.7 tttt -69.37 -44.06 72.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.73 -12.63 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -96.57 -35.57 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 824' ' ' ASP . 18.8 m -84.24 -30.13 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -41.39 -24.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 821' ' ' VAL . 64.2 m -85.07 22.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.3 t70 -133.37 139.87 35.37 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.858 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.8 Cg_endo -69.75 -30.94 21.53 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -60.4 -34.93 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.478 ' CD2' HG22 ' A' ' 821' ' ' VAL . 6.3 t80 -63.29 -25.96 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -74.71 -26.12 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -45.66 -42.38 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.49 135.06 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.53 -54.17 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 t -70.81 131.6 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 9.2 t -66.44 -39.72 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 97.6 p -51.11 -39.2 55.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.5 mmm -62.94 -49.8 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.466 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 20.8 mtt85 -53.45 -49.98 66.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.41 -52.56 45.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.1 -64.71 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 799' ' ' PHE . 83.3 mt -44.77 -50.08 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -58.84 -62.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -49.34 -36.62 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -58.27 -57.71 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -52.43 -57.14 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.9 mm -51.7 -51.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.28 -45.35 23.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -60.45 -47.2 87.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 75.4 mt -54.42 -64.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -46.09 -51.41 13.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 50.8 mt -56.23 -48.77 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -54.5 -54.77 36.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.2 t -56.83 -56.58 19.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.75 -45.08 63.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' PHE . . . . . 0.432 ' CE2' HD13 ' A' ' 803' ' ' LEU . 18.4 t80 -51.85 -53.51 39.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -53.18 -52.99 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -45.16 -51.78 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.441 ' CD2' ' HB ' ' A' ' 821' ' ' VAL . 53.5 tp -55.12 -64.04 0.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 799' ' ' PHE . 36.2 mt -43.48 -63.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 12.2 t -46.68 -48.05 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -54.11 -29.73 45.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.476 ' O ' ' C ' ' A' ' 807' ' ' HIS . 45.2 m-70 -80.81 38.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.6 m80 31.01 54.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 843' ' ' TYR . 56.2 mt -43.54 164.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.8 OUTLIER -146.34 172.25 13.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.3 p -67.82 -46.28 72.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -90.86 29.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' SER . . . . . 0.47 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.7 t -66.75 120.21 13.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -88.25 134.38 33.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' TRP . . . . . 0.44 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 23.7 t-105 -59.57 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 67.0 m -43.33 -44.45 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -70.25 -64.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' VAL . . . . . 0.44 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -47.84 -27.67 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.32 -48.51 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.82 -14.43 63.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -92.1 -39.56 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' VAL . . . . . 0.45 HG22 ' CD2' ' A' ' 827' ' ' TYR . 12.5 m -83.29 -28.93 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 823' ' ' SER . 6.3 pt-20 -48.37 -35.14 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' SER . . . . . 0.472 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 1.4 t -53.2 -30.51 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -87.85 140.34 31.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.8 -19.28 36.16 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -66.02 -32.5 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' TYR . . . . . 0.45 ' CD2' HG22 ' A' ' 821' ' ' VAL . 2.0 t80 -70.61 -15.15 62.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.17 -10.46 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.46 91.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.32 102.14 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -76.67 -40.3 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' SER . . . . . 0.454 ' HB2' ' CG ' ' A' ' 835' ' ' MET . 70.9 m -72.69 117.54 14.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 78.6 p -61.13 -40.8 95.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 54.3 p -55.91 -35.07 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' MET . . . . . 0.454 ' CG ' ' HB2' ' A' ' 832' ' ' SER . 89.4 mmm -62.69 -44.65 95.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . 0.402 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.8 mtm180 -63.43 -55.97 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.64 -50.25 72.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.79 -59.51 5.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 73.1 mt -50.32 -56.99 8.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -54.91 -59.79 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -48.75 -41.81 33.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -56.78 -53.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' TYR . . . . . 0.522 ' CD1' HD13 ' A' ' 808' ' ' LEU . 10.3 t80 -54.82 -56.56 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.21 -49.91 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.13 -45.33 32.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.53 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.55 -64.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 32.9 t -106.52 -45.77 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 15.3 m -59.11 121.36 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -111.09 154.36 16.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.8 p -172.9 134.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 783' ' ' GLY . 27.4 t -77.55 156.54 30.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 782' ' ' SER . . . 36.06 -145.86 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -148.78 126.67 11.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.06 129.35 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -104.64 74.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -102.64 162.46 12.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 35.8 m -72.2 -47.26 51.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 789' ' ' LYS . 0.2 OUTLIER -39.64 -48.03 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 7.4 t -138.73 114.28 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -116.78 41.88 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -71.24 -39.18 62.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.56 -64.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.933 0.397 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 6.4 ptmm? -53.56 -42.15 67.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.428 ' N ' ' HG3' ' A' ' 794' ' ' LYS . 98.8 mt -58.83 -39.42 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -64.2 -48.87 74.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.9 t -55.47 -49.3 72.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -56.34 -45.42 80.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -52.58 -59.41 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -52.12 -53.68 39.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 16.1 mt-10 -42.69 -56.76 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 35.5 tp -53.35 -66.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 25.6 mt -41.06 -60.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 50.4 p -52.19 -43.5 64.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.1 m-20 -57.11 -27.14 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.59 30.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.9 m170 33.81 54.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 51.6 mt -42.75 148.6 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.05 153.63 51.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.1 p -47.67 -38.27 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.74 26.92 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 m -65.57 138.69 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.27 120.92 32.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.404 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 27.8 t-105 -44.28 -51.07 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.0 p -50.29 -40.37 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -73.62 -61.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.77 -33.35 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 821' ' ' VAL . 22.1 ttpp -72.78 -45.08 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.11 -14.64 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -99.38 -40.11 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 827' ' ' TYR . 22.6 m -76.9 -29.59 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.94 -43.18 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 15.7 t -54.17 -30.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -83.96 140.03 40.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.623 0.725 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.9 Cg_endo -69.72 -24.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . 0.415 ' NH2' ' OD1' ' A' ' 824' ' ' ASP . 85.2 mtm-85 -59.22 -40.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.57 ' CD2' HG23 ' A' ' 821' ' ' VAL . 3.0 t80 -62.37 -27.21 68.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -72.81 -23.19 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.19 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.09 116.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.2 -41.46 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.6 t -74.08 123.45 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.9 m -66.08 -48.65 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.4 m -43.36 -44.3 5.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' MET . . . . . 0.42 ' O ' ' CG ' ' A' ' 839' ' ' LEU . 70.3 mmm -60.17 -38.19 82.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -64.48 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -53.96 -50.0 67.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -58.12 -59.67 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.42 ' CG ' ' O ' ' A' ' 835' ' ' MET . 54.5 mt -53.11 -60.28 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 817' ' ' VAL . 70.4 t80 -50.72 -52.39 40.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -56.51 -42.29 78.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -54.87 -58.94 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -52.46 -57.19 10.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 32.6 mm -52.68 -44.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.184 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.65 -44.55 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -62.41 -46.28 89.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.56 -64.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -41.51 -53.58 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -70.17 161.73 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -39.16 111.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.3 143.11 57.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.34 92.59 0.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.2 t -113.39 112.89 24.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 6.1 t -159.55 140.78 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 96.66 -158.05 21.38 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.74 3.27 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.666 2.244 . . . . 0.0 112.373 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 23.2 t -41.61 -41.27 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 54.8 m -91.37 135.77 33.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 79.6 p -107.79 150.0 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.377 . . . . 0.0 110.893 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 80.8 p -79.26 -52.16 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -171.52 -82.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.557 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 79.7 p -129.4 87.1 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 20.3 m -80.17 161.17 25.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 56.6 106.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -94.82 -56.72 2.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -92.59 163.58 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 787' ' ' ASP . 0.6 OUTLIER -87.43 21.57 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 786' ' ' GLU . 10.0 t0 -36.31 141.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 789' ' ' LYS . 33.4 m -113.74 -43.73 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 788' ' ' SER . 5.6 mmmm -35.2 -47.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.18 114.73 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.3 ptt-85 -112.76 43.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 793' ' ' GLU . . . -38.5 -61.08 1.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 792' ' ' GLY . 11.6 tp10 -38.48 -58.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -48.45 -60.28 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 18.9 mt -44.44 -52.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -54.36 -49.38 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.8 t -51.87 -54.94 23.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -57.02 -40.9 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.487 ' CD2' HD12 ' A' ' 803' ' ' LEU . 16.7 t80 -56.44 -56.66 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.2 -45.68 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.95 -55.08 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 806' ' ' HIS . 16.8 tp -54.87 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 799' ' ' PHE . 24.9 mt -39.99 -60.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 11.2 t -52.79 -44.91 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -54.77 -26.76 36.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 807' ' ' HIS . 15.4 m-70 -82.86 33.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.2 p80 33.41 54.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 843' ' ' TYR . 33.4 mt -43.86 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 812' ' ' SER . 1.0 OUTLIER -147.08 168.88 20.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 56.2 p -64.17 -36.4 83.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -87.7 18.1 4.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.0 m -61.91 130.78 47.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -113.15 149.25 33.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 815' ' ' SER . 29.8 t-105 -66.34 -69.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 814' ' ' TRP . 50.0 m -35.07 -39.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.41 -64.1 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.418 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.6 OUTLIER -47.39 -28.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -76.0 -48.32 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.53 -16.69 64.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -92.8 -41.45 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 824' ' ' ASP . 35.0 m -77.66 -31.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -39.1 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 821' ' ' VAL . 2.2 t -84.67 27.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -136.07 139.86 31.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.78 -31.48 20.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -58.78 -35.37 72.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.5 ' CE2' ' HD3' ' A' ' 836' ' ' ARG . 14.2 t80 -64.02 -30.86 71.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -51.79 -49.13 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.53 129.99 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -88.03 -50.08 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 4.4 m -74.13 148.53 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.5 m -82.83 -48.29 10.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 55.2 m -45.11 -43.25 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.26 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.5 ' HD3' ' CE2' ' A' ' 827' ' ' TYR . 5.4 mtt85 -55.38 -56.84 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.94 -54.8 40.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -51.58 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.6 -55.31 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.1 -60.28 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -47.28 -45.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -51.23 -59.18 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 808' ' ' LEU . 9.3 t80 -50.88 -55.69 15.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.6 mm -51.41 -50.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.08 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -48.94 -45.38 41.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.45 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -52.85 -45.07 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -52.4 -60.66 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -89.86 86.94 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.5 148.6 23.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.15 161.95 13.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 36.8 p -92.43 73.44 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 5.3 m -125.39 155.3 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 91.63 175.42 43.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -31.9 19.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 4.4 m -80.71 144.42 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 4.4 m -107.34 117.22 33.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.4 t -69.9 160.58 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 73.0 m -83.12 156.26 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 123.01 126.66 3.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 67.6 m -68.15 155.03 40.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 2.1 t -80.3 146.97 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 155.03 158.18 8.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -134.32 -45.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.406 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.65 90.76 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 787' ' ' ASP . 72.1 mt-10 -98.76 167.95 10.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 786' ' ' GLU . 3.2 p30 -35.95 144.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 15.9 m -116.16 91.56 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.39 -49.69 9.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 55.2 m -89.53 -55.42 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -39.89 -55.3 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -44.01 -45.73 7.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -49.13 -55.74 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -48.44 -58.1 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 77.4 mt -47.1 -46.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.48 -60.09 4.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.5 t -43.47 -55.41 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 -53.3 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -49.0 -57.79 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -52.41 -50.84 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.34 -56.98 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.445 HD21 ' CG1' ' A' ' 821' ' ' VAL . 40.2 tp -53.21 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 39.4 mt -43.35 -63.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 92.8 p -48.67 -46.41 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -56.6 -26.84 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -84.11 30.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.9 m170 34.46 55.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 844' ' ' ILE . 68.1 mt -43.24 164.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.73 175.69 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 13.8 t -71.52 -40.81 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -85.78 30.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.8 p -65.58 124.18 21.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 814' ' ' TRP . 2.3 mmp_? -103.32 106.09 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.45 ' C ' ' O ' ' A' ' 813' ' ' ARG . 29.5 t-105 -34.3 -61.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.5 p -40.62 -41.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 813' ' ' ARG . 12.9 mmtm -72.54 -63.95 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -47.79 -26.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -79.8 -41.18 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . 0.409 ' C ' ' HG2' ' A' ' 822' ' ' GLU . 4.3 t70 -71.42 -17.23 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -91.79 -39.95 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 827' ' ' TYR . 35.5 m -80.1 -35.32 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.409 ' HG2' ' C ' ' A' ' 819' ' ' ASP . 10.4 pt-20 -39.29 -27.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 821' ' ' VAL . 1.3 t -84.69 25.98 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.9 t70 -136.52 139.95 30.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.78 21.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -59.97 -35.29 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 821' ' ' VAL . 2.1 t80 -62.5 -29.21 70.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -71.06 -26.15 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -43.2 -44.62 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 836' ' ' ARG . 60.1 t -78.18 115.16 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.5 -47.18 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 72.4 m -72.01 110.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 7.2 m -46.24 -41.87 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 835' ' ' MET . 15.8 m -50.96 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 834' ' ' SER . 96.9 mmm -34.41 -48.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.462 ' HG3' ' CG1' ' A' ' 830' ' ' VAL . 49.8 mtm180 -59.13 -56.65 19.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.43 -54.54 45.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.57 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.22 -57.87 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -49.24 -55.64 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -53.59 -47.03 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -51.44 -64.92 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -42.73 -58.42 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 19.3 mm -52.6 -53.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -43.06 -44.32 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -65.06 -47.0 78.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 85.2 mt -52.68 -65.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 849' ' ' LYS . . . -43.23 -51.9 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 848' ' ' ALA . 28.2 ttmt -35.61 -58.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -112.23 124.28 52.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 852' ' ' ASP . 14.6 mt -112.07 -61.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 851' ' ' LEU . 7.2 m-20 -35.6 130.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 43.6 t -82.11 89.25 6.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 47.1 m -90.13 123.38 33.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 116.66 151.6 9.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.449 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 87.75 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 13.7 m -63.43 95.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 81.5 p -56.14 166.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 780' ' ' GLY . 6.4 t -94.05 -57.02 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 21.2 p 40.04 29.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 778' ' ' SER . . . -88.79 -108.83 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 83.6 p -55.83 167.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 96.2 p -172.29 140.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 61.83 143.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.443 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -134.37 123.15 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -127.57 -47.46 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -55.84 114.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.48 159.48 15.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 65.8 p -109.82 79.46 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -83.75 -64.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 89.5 m -98.64 -54.64 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . 0.429 ' O ' ' CD1' ' A' ' 795' ' ' ILE . 24.9 ttm180 -51.19 -28.44 11.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -58.54 -9.4 6.46 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -62.19 -65.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 795' ' ' ILE . 19.6 ptmt -55.45 -52.67 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.474 HD13 ' CG ' ' A' ' 794' ' ' LYS . 4.3 mp -46.59 -51.83 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -47.38 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.5 t -53.13 -56.46 16.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . 0.565 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -58.2 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.568 ' CD2' HD13 ' A' ' 839' ' ' LEU . 12.1 t80 -39.64 -49.61 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -62.69 -46.62 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 0.1 OUTLIER -50.18 -47.68 54.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 821' ' ' VAL . 16.7 tp -61.19 -60.69 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 35.0 mt -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 95.5 p -51.55 -32.18 27.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 12.7 m-20 -75.22 -22.61 57.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.9 m170 -84.21 32.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 806' ' ' HIS . 1.6 t-80 34.59 54.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 25.5 mt -48.75 168.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 810' ' ' SER . 0.9 OUTLIER -151.92 160.8 43.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 89.6 p -55.69 -42.11 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -88.36 30.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 32.4 m -83.78 125.36 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -98.58 149.07 23.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.531 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 40.5 t-105 -63.39 -69.11 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.3 t -33.78 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 814' ' ' TRP . 34.7 mmtt -74.34 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.531 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 1.0 OUTLIER -53.86 -43.73 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.507 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 3.4 ptmm? -68.42 -36.05 78.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -80.79 -32.27 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 827' ' ' TYR . 34.1 m -82.52 -29.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 821' ' ' VAL . 8.5 pt-20 -36.38 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 27.6 m -84.19 30.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.2 t70 -140.09 139.99 22.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.75 -26.38 27.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -64.11 -31.47 72.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.555 ' CD2' HG23 ' A' ' 821' ' ' VAL . 2.6 t80 -67.86 -22.53 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -79.29 -16.36 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.62 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 13.5 t -75.82 137.45 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -113.25 -34.31 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m -81.28 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 79.0 p -53.99 -45.37 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.2 t -46.12 -41.81 12.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 76.1 mmm -69.09 -38.75 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.494 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 4.4 mmt85 -54.17 -57.23 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -55.66 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -47.57 -59.33 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 799' ' ' PHE . 39.0 mt -50.53 -55.58 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 814' ' ' TRP . 50.9 t80 -53.01 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -49.24 -41.96 39.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.8 -58.69 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -50.73 -56.0 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 5.0 mm -48.71 -52.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -49.87 -41.92 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -62.84 -39.54 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -62.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.41 89.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -87.26 53.18 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -107.34 -44.51 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -14.09 52.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.08 -51.43 54.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 5.0 m -79.3 107.04 11.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 82.8 p -65.97 176.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.908 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 138.85 149.25 5.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 97.38 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 5.0 t -69.51 174.85 4.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 30.3 t 38.05 42.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 32.1 p -139.09 172.88 12.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 17.2 t -125.58 148.69 48.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 44.38 -168.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 66.6 m -140.89 131.85 26.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 15.9 m -158.35 157.57 32.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -172.15 -159.81 19.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -103.35 -177.62 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -115.9 -38.05 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -131.38 46.53 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -138.38 156.52 47.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 71.5 p -93.69 36.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -74.69 -58.92 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.0 m -91.7 39.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -86.06 -52.08 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -44.26 -43.15 7.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -44.68 -39.04 4.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -57.97 -60.22 4.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 830' ' ' VAL . 5.0 mp -55.1 -39.9 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -57.57 -47.55 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 61.6 p -64.57 -52.95 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.18 -50.41 64.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.78 -52.39 60.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -54.46 -51.28 65.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.0 -59.17 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.417 HD23 ' CG1' ' A' ' 821' ' ' VAL . 51.0 tp -49.52 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 23.3 mt -43.01 -65.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 54.8 p -47.68 -45.44 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.61 -26.49 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 10.2 m-70 -83.57 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 28.6 m80 33.19 54.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 843' ' ' TYR . 75.2 mt -44.94 163.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.71 179.51 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 90.0 p -76.58 -30.07 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -95.91 26.59 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.2 m -73.18 130.11 39.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -111.48 140.67 45.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 815' ' ' SER . 31.7 t-105 -54.54 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 814' ' ' TRP . 25.6 m -34.27 -41.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.3 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.411 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -48.61 -27.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -75.01 -48.14 25.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.31 -22.74 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -83.41 -42.48 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 827' ' ' TYR . 27.6 m -76.94 -29.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.43 -28.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 58.0 p -86.96 26.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.0 t70 -135.34 140.18 33.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.78 -31.69 19.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -59.5 -30.31 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.592 ' CZ ' ' NH1' ' A' ' 836' ' ' ARG . 3.1 t80 -70.98 -12.96 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -86.88 1.84 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -74.71 -54.71 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 795' ' ' ILE . 9.0 t -59.98 149.27 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -112.49 -54.06 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.5 t -77.05 148.83 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 35.7 p -80.58 -40.32 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.2 p -54.8 -43.44 72.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 91.3 mmm -56.16 -36.78 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.592 ' NH1' ' CZ ' ' A' ' 827' ' ' TYR . 7.0 mtp180 -68.28 -59.99 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 841' ' ' LYS . 0.7 OUTLIER -51.22 -39.06 55.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.14 -56.4 6.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -60.37 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -50.86 -54.88 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 837' ' ' GLU . 40.8 mtpt -52.85 -45.7 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.14 -54.24 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.56 ' CD1' HD11 ' A' ' 808' ' ' LEU . 12.0 t80 -54.99 -58.31 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 36.4 mm -51.02 -47.26 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -51.07 -45.22 61.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.29 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.42 -63.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.04 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -40.78 -63.19 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -49.32 -55.49 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.31 91.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -85.82 111.82 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 67.8 p -87.65 -50.02 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 54.5 p -79.76 138.84 37.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -84.71 -79.02 1.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.64 163.09 39.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 858' ' ' SER . 1.5 t -147.56 151.96 37.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 857' ' ' SER . 59.5 p 37.58 42.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.811 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 778' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 777' ' ' GLY . 33.7 t -38.08 147.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 48.8 m -99.03 144.63 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 121.4 179.76 16.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 21.8 t -127.77 123.82 36.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 22.4 t -59.22 -59.54 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -177.83 57.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -42.68 121.87 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.393 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -69.58 -46.9 65.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -41.59 -50.88 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -106.64 132.83 52.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 789' ' ' LYS . 41.9 t -98.8 -53.83 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 788' ' ' SER . 3.9 tptm -35.76 -48.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 97.1 m -59.06 -57.47 12.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -57.2 -29.02 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -42.84 -32.84 1.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -47.5 -48.28 27.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.922 0.392 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -66.77 -60.56 2.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.9 mt -44.94 -33.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -73.26 -53.41 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 32.2 t -53.32 -44.22 68.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.62 -53.6 52.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -46.42 -50.2 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -38.06 -51.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.446 HD13 ' CD2' ' A' ' 806' ' ' HIS . 53.9 tp -56.97 -62.72 1.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 82.9 mt -43.33 -62.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 79.4 p -49.66 -40.32 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 77.8 m-20 -63.74 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.473 ' CE1' HG11 ' A' ' 821' ' ' VAL . 9.5 m-70 -82.35 36.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 806' ' ' HIS . 12.5 t60 32.96 55.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 843' ' ' TYR . 41.0 mt -46.31 168.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.74 177.1 11.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 80.6 p -68.36 -50.96 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -84.5 30.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 t -75.55 121.11 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -97.6 148.18 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.463 ' CE2' ' HD2' ' A' ' 818' ' ' LYS . 29.4 t-105 -61.96 -69.01 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 814' ' ' TRP . 43.5 m -36.39 -35.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -73.63 -57.96 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 818' ' ' LYS . 0.5 OUTLIER -53.6 -43.03 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.504 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 9.0 ptmt -70.97 -32.36 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 815' ' ' SER . 5.5 m-20 -71.08 -23.0 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -93.7 -35.83 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 824' ' ' ASP . 10.8 m -77.08 -29.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 821' ' ' VAL . 9.5 pt-20 -35.95 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 821' ' ' VAL . 38.0 p -83.73 29.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.0 t70 -136.6 140.03 31.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.73 -27.81 26.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.4 -29.55 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.469 ' CD2' HG23 ' A' ' 821' ' ' VAL . 3.0 t80 -69.26 -21.71 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -84.33 -10.35 57.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.81 93.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 46.1 t -82.99 120.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.31 -44.84 7.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.4 t -70.36 116.06 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 95.7 p -57.07 -49.81 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 34.9 m -44.92 -41.38 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 84.8 mmm -63.41 -49.04 75.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -55.86 -48.54 75.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.74 -55.99 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.0 -57.85 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 67.9 mt -46.91 -59.86 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -50.95 -59.07 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -48.25 -45.44 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -54.53 -56.26 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.503 ' CD1' HD13 ' A' ' 808' ' ' LEU . 10.7 t80 -54.64 -58.27 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.2 mm -50.07 -55.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -44.92 -47.28 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.79 -46.72 84.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.02 -65.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.78 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -84.96 48.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 850' ' ' ASN . 38.2 p-10 -121.56 79.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.31 117.99 18.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -128.46 88.24 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 40.3 t -106.02 106.12 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 35.8 p -60.31 -61.77 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -42.85 145.94 0.92 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 138.32 37.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.3 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 85.8 p -60.14 112.9 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 56.7 p -153.55 156.2 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 40.7 m -96.65 112.05 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 780' ' ' GLY . 96.0 p -50.24 -45.24 53.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . 0.408 ' N ' ' HG ' ' A' ' 779' ' ' SER . . . 133.73 141.88 4.62 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 15.3 t -106.32 -45.65 4.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 31.5 t -158.82 159.5 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 117.65 81.96 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -113.37 113.4 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -108.84 -58.83 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -119.43 104.46 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -51.2 -51.11 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 83.8 p -43.19 -48.17 6.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -66.95 -50.54 62.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 3.7 m -86.59 59.58 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 791' ' ' ARG . 10.2 ttp-105 -89.31 -20.54 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -52.5 -43.04 58.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.52 -33.79 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -64.32 -49.9 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.54 -44.43 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -55.86 -52.04 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.3 t -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.07 -61.23 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -41.39 -59.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -50.18 -56.69 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -41.2 -51.09 3.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.405 ' CD2' ' HB ' ' A' ' 821' ' ' VAL . 36.9 tp -57.65 -62.14 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 46.7 mt -42.84 -62.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 15.1 t -48.34 -43.02 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -61.57 -25.53 67.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.0 m-70 -82.61 33.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 806' ' ' HIS . 39.2 m80 34.34 54.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 25.7 mt -46.8 174.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -158.43 178.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 50.5 m -74.61 -37.29 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -93.2 29.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.8 m -90.02 123.5 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -95.51 170.35 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.491 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.3 t-105 -75.33 -69.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 814' ' ' TRP . 18.5 m -36.11 -34.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 814' ' ' TRP . 16.5 mmtm -74.66 -59.18 2.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 818' ' ' LYS . 0.5 OUTLIER -51.82 -41.61 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.481 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 3.4 ptmm? -70.46 -36.89 74.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.3 -26.96 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -85.83 -36.97 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 827' ' ' TYR . 17.4 m -80.96 -28.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 821' ' ' VAL . 1.3 pp20? -36.5 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 821' ' ' VAL . 11.6 t -83.24 28.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -135.79 140.4 33.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -29.31 23.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.44 -34.11 77.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.56 ' CD2' HG23 ' A' ' 821' ' ' VAL . 4.1 t80 -65.23 -21.72 66.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -80.98 -22.89 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -52.56 -50.36 63.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.04 119.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -92.57 -43.42 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 130.69 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 82.9 p -70.72 -45.48 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.2 t -49.28 -45.24 44.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 82.3 mmm -57.97 -45.86 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.491 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 86.7 mtt180 -55.34 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -54.65 -60.46 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . 0.477 ' OD1' ' NE2' ' A' ' 842' ' ' GLN . 3.5 t70 -45.45 -58.67 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 63.7 mt -50.03 -54.13 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.96 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -47.21 -38.38 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 838' ' ' ASP . 34.0 mt-30 -62.23 -54.71 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -54.62 -54.36 42.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 4.8 mm -53.72 -54.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -46.36 -42.35 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.67 -47.16 82.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.3 -64.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -51.53 -42.48 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . 0.454 ' HD2' ' ND2' ' A' ' 850' ' ' ASN . 0.4 OUTLIER -52.27 -52.06 54.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.454 ' ND2' ' HD2' ' A' ' 849' ' ' LYS . 9.1 m-80 -100.69 117.26 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 20.6 tp -120.05 111.96 18.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -38.48 101.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 7.1 t -111.33 102.23 10.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 19.9 m -91.23 81.33 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.81 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -116.18 -166.26 14.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.93 13.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 95.7 p -83.79 109.27 17.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 3.2 m -70.07 161.27 30.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 51.9 p -123.59 132.33 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.828 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 78.6 p -55.45 -48.24 74.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 85.76 49.15 4.43 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 15.4 t -61.27 127.6 32.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 5.8 t -101.15 164.03 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 66.34 168.19 2.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.12 95.99 3.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.945 0.403 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -118.03 144.24 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.41 74.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -123.35 165.52 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 19.3 t -63.7 -46.51 85.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.829 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -58.44 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 64.4 m -58.34 -46.13 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -45.62 -46.25 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -70.43 -40.82 68.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -53.06 -56.06 19.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.56 -52.83 27.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -58.21 -44.78 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -57.6 -44.99 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.7 t -59.79 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.19 -52.22 59.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.411 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.0 t80 -51.85 -54.69 26.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -55.47 -46.58 76.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.4 -58.97 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.68 -59.28 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.411 HD11 ' CE2' ' A' ' 799' ' ' PHE . 53.1 mt -43.27 -64.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 52.7 p -48.04 -42.59 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.59 -27.23 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 10.2 m-70 -81.24 38.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.0 t60 32.93 54.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 30.2 mt -46.51 156.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.2 p-10 -134.01 176.14 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 25.1 p -70.8 -44.63 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -94.33 29.5 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' SER . . . . . 0.403 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 7.6 t -67.83 124.07 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -95.24 143.17 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.472 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 28.6 t-105 -64.92 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 814' ' ' TRP . 8.7 t -34.93 -43.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -70.1 -64.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.472 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -48.48 -26.71 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.427 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 17.8 ttpp -76.42 -44.28 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . 0.452 ' OD1' ' C ' ' A' ' 819' ' ' ASP . 0.3 OUTLIER -68.52 -22.53 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -89.59 -39.4 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 823' ' ' SER . 31.8 m -76.99 -30.19 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -38.93 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.2 t -85.07 29.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.7 t70 -132.03 139.81 36.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.82 -31.27 20.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -61.5 -37.01 82.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 3.0 t80 -62.05 -23.49 66.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -77.92 -27.38 49.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -53.14 -42.54 66.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.54 123.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.07 -44.01 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.4 m -70.06 105.96 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 71.9 m -49.87 -48.0 51.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.8 m -43.92 -44.34 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 71.2 mmm -58.82 -42.56 89.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -59.94 -53.21 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -62.39 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -49.16 -61.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.2 mt -46.03 -60.84 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -48.25 -57.77 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -49.46 -48.92 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.11 -60.27 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -47.54 -54.6 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.5 mm -54.86 -47.68 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.43 -41.95 41.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -65.7 -46.99 76.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 92.9 mt -54.11 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -45.49 -43.57 11.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -55.43 -54.19 46.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -90.0 78.97 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 10.3 tp -91.3 110.76 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -52.93 121.62 7.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 58.3 m -112.06 152.3 28.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 34.8 t -107.84 -57.89 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -164.85 -106.64 0.2 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 84.95 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 0.0 112.357 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 4.9 m -158.93 138.52 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 43.3 m -97.52 171.15 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 2.3 m -129.5 149.45 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 1.9 t -112.57 -49.08 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 122.91 164.06 11.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 39.4 m -108.42 152.92 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 73.1 m -58.82 113.62 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -155.31 51.96 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -93.22 101.35 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -76.37 176.5 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -102.42 49.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -118.33 166.84 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 46.8 p -80.22 53.11 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -125.28 -42.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 6.0 t -74.47 -29.42 61.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -68.0 -37.58 81.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -51.9 -34.0 37.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -54.21 -58.97 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -54.35 -58.75 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.7 mt -45.35 -43.72 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -62.5 -60.13 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 16.7 t -41.88 -57.59 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.48 -42.93 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -54.36 -60.34 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.79 -52.92 45.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.79 -52.03 6.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.45 -59.74 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 83.7 mt -44.76 -59.51 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -50.75 -41.92 57.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.36 -25.57 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.646 ' CE1' ' CG1' ' A' ' 821' ' ' VAL . 8.3 m-70 -81.08 36.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.475 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.6 t-80 32.16 55.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 843' ' ' TYR . 95.3 mt -45.68 170.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -156.85 -179.97 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.5 p -69.24 -55.74 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.72 22.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 5.6 p -51.45 119.96 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -88.9 135.11 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 815' ' ' SER . 39.3 t-105 -67.55 -68.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.7 t -33.43 -41.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -63.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -29.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 821' ' ' VAL . 22.8 ttpp -76.12 -41.76 49.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.45 -14.12 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -100.18 -35.61 9.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.646 ' CG1' ' CE1' ' A' ' 806' ' ' HIS . 27.8 m -80.92 -29.18 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -48.64 -36.01 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.5 t -54.07 -30.32 47.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.6 t70 -86.93 140.18 32.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.4 Cg_endo -69.79 -27.84 25.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -58.08 -37.21 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 821' ' ' VAL . 6.7 t80 -60.87 -32.5 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -68.46 -22.88 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.26 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.28 96.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.21 -40.16 71.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 35.8 t -70.84 119.38 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.0 m -65.07 -44.35 89.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 20.3 m -48.41 -41.32 28.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 69.3 mmm -61.56 -41.19 97.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.92 -57.56 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . 0.428 ' O ' ' CD ' ' A' ' 841' ' ' LYS . 13.2 mt-10 -61.63 -48.27 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.21 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 62.0 mt -48.74 -59.53 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -47.5 -55.91 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 837' ' ' GLU . 18.1 mtpp -53.83 -50.3 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -48.48 -57.02 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.564 ' CE1' HD12 ' A' ' 808' ' ' LEU . 14.2 t80 -52.77 -56.56 14.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 21.8 mm -51.6 -46.19 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -52.17 -45.69 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.4 -43.96 96.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.72 -61.94 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -38.99 -64.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -53.45 57.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -105.26 89.88 3.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.28 130.41 43.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -117.71 169.69 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.1 m -133.99 154.77 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 71.2 m -107.18 129.02 54.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -158.5 -85.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -26.95 27.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.32 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 7.1 t -84.94 125.71 32.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 30.2 p -49.25 110.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 71.0 m -102.62 42.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 41.8 t -54.59 127.83 29.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 70.01 52.71 17.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 84.0 p -107.18 136.82 46.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 60.7 p -62.83 149.03 45.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -135.83 138.19 9.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -53.35 168.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.963 0.411 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 84.86 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -92.0 152.07 20.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 788' ' ' SER . 12.8 t70 -49.5 168.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.444 ' N ' ' CG ' ' A' ' 787' ' ' ASP . 5.7 m -92.54 45.96 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . 0.446 ' HD3' ' C ' ' A' ' 789' ' ' LYS . 0.6 OUTLIER -83.29 -63.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.8 t -71.51 -42.32 68.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -41.91 -43.03 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -58.74 -43.3 96.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -51.44 -57.22 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.01 -54.36 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 26.5 mt -53.81 -53.88 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -51.14 -39.21 55.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 40.6 t -59.96 -53.77 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.45 -46.67 63.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.434 ' CD2' HD11 ' A' ' 839' ' ' LEU . 12.7 t80 -53.49 -54.25 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -54.28 -47.17 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.29 -57.04 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 35.0 tp -52.7 -61.43 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 48.2 mt -42.45 -64.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 33.4 p -47.32 -43.5 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -83.33 33.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.6 t-80 33.91 54.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 843' ' ' TYR . 31.1 mt -44.86 157.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.7 p-10 -136.17 166.8 22.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.9 p -60.35 -49.36 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -87.66 30.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 25.4 t -63.15 122.58 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -94.11 123.94 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 25.2 t-105 -50.59 -54.24 24.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.6 t -46.51 -38.98 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -74.96 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.462 HG13 ' CE1' ' A' ' 840' ' ' PHE . 0.6 OUTLIER -47.76 -31.19 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 18.0 ttpp -74.64 -49.35 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.86 -13.3 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -92.68 -36.23 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.544 HG21 ' CD2' ' A' ' 827' ' ' TYR . 34.4 m -85.84 -29.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -38.84 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 22.8 t -85.23 29.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.7 t70 -137.71 139.72 27.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.74 -32.08 19.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -61.37 -32.58 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 821' ' ' VAL . 2.1 t80 -66.85 -23.08 65.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -73.82 -20.78 60.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.46 -51.83 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.35 113.69 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -82.14 -51.22 8.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 t -72.82 136.99 45.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 45.9 m -73.65 -41.71 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.1 m -48.48 -41.79 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 86.2 mmm -59.93 -45.62 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.564 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 84.1 mtm-85 -55.72 -50.81 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -63.55 -60.24 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -47.4 -61.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 799' ' ' PHE . 83.6 mt -48.31 -60.69 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . 0.462 ' CE1' HG13 ' A' ' 817' ' ' VAL . 66.7 t80 -44.6 -54.22 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.24 -45.62 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -52.96 -58.73 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.512 ' CD1' HD11 ' A' ' 808' ' ' LEU . 13.6 t80 -51.96 -59.83 3.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 40.3 mm -50.98 -43.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.25 -43.66 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -62.98 -47.58 82.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 79.0 mt -53.36 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -42.11 -48.83 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.18 -55.53 32.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -89.33 102.24 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 21.1 tp -137.82 119.8 15.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -94.91 58.5 2.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 3.5 m -127.16 106.29 9.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 79.6 p -108.77 144.24 36.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -160.08 -162.56 12.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -26.42 27.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 40.8 t -41.01 -55.21 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 p -118.34 -49.99 2.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 59.8 p 38.76 42.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.883 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 9.4 t -92.67 167.56 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 116.5 69.37 0.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 79.4 p -122.69 101.18 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 3.4 m -59.01 146.41 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -142.06 -88.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.534 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 785' ' ' LYS . 24.8 tp10 -117.56 153.78 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 784' ' ' GLU . 12.2 ttmm -37.17 147.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -86.47 136.34 33.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -134.7 138.24 44.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 18.7 m -83.59 47.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.42 -41.93 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 9.3 t -74.81 -26.35 59.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -91.86 35.77 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -59.5 -48.41 86.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -43.05 -57.62 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.71 -52.19 60.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.2 mt -48.02 -42.81 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -62.19 -55.99 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 15.0 t -48.9 -55.18 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -51.2 -47.57 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.469 ' CE2' HD13 ' A' ' 803' ' ' LEU . 18.2 t80 -49.79 -56.89 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.41 -53.97 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.427 ' O ' ' ND2' ' A' ' 805' ' ' ASN . 37.2 mt-10 -40.59 -59.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.418 HD12 ' CD2' ' A' ' 806' ' ' HIS . 44.0 tp -54.71 -60.43 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 799' ' ' PHE . 93.9 mt -40.23 -55.4 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 28.0 p -55.26 -43.41 74.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 801' ' ' GLU . 2.2 m-80 -59.16 -24.26 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.479 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.9 m-70 -81.43 35.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 806' ' ' HIS . 4.8 m170 31.82 55.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 843' ' ' TYR . 76.0 mt -43.97 168.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -158.12 161.8 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 46.3 p -63.61 -14.82 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -118.8 27.29 8.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.1 t -74.78 124.39 26.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -92.14 152.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 23.6 t-105 -71.62 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 m -39.59 -40.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -72.84 -63.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.42 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -48.32 -28.57 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -75.52 -47.63 26.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -65.5 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -89.66 -40.31 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.515 HG23 ' CD2' ' A' ' 827' ' ' TYR . 29.2 m -78.81 -29.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -39.1 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.1 t -85.05 26.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.7 t70 -138.31 139.93 26.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.1 Cg_endo -69.75 -31.71 20.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -59.44 -38.26 80.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.515 ' CD2' HG23 ' A' ' 821' ' ' VAL . 8.2 t80 -60.14 -27.63 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -73.55 -29.43 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -43.01 -46.19 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.87 130.07 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -104.96 -44.14 4.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 29.5 t -72.48 114.07 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.4 m -52.47 -44.89 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 3.2 t -47.68 -46.53 29.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.71 -38.2 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.476 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 90.2 mtt180 -66.06 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.54 -47.8 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.08 -64.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.9 mt -49.49 -57.52 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -49.78 -59.97 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -49.74 -50.51 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -45.81 -55.37 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.413 ' CD1' ' CD1' ' A' ' 808' ' ' LEU . 12.6 t80 -52.98 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.7 mm -49.13 -54.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -44.3 -48.03 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.61 -48.17 80.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.69 -65.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -48.95 -41.45 34.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -94.47 44.18 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -81.08 -45.28 16.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.68 94.15 7.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -121.49 86.81 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.0 m -119.72 46.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 3.1 t 67.42 47.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -126.33 -150.36 7.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 176.83 6.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 37.1 m -115.9 172.84 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 37.7 t -86.37 101.28 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 86.3 p -155.38 165.93 35.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 8.4 t -83.04 148.43 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -107.11 -157.27 20.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 35.5 m -120.54 138.69 53.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.386 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 60.0 p -160.95 133.56 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 166.35 159.92 12.86 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.443 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 785' ' ' LYS . 8.7 tt0 -85.16 142.54 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.406 ' N ' ' HG2' ' A' ' 784' ' ' GLU . 39.0 mtmt -70.72 -51.64 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -46.72 103.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -77.83 110.16 12.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.421 ' C ' ' HE3' ' A' ' 789' ' ' LYS . 80.7 p -127.25 89.6 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . 0.472 ' N ' ' HE3' ' A' ' 789' ' ' LYS . 0.1 OUTLIER -85.01 -55.21 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.8 t -103.32 -16.34 15.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -63.85 -48.99 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -45.14 -49.0 10.08 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.94 -60.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.388 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -53.88 -56.98 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 17.4 mt -46.58 -42.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -60.82 -54.0 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 68.2 m -52.29 -55.31 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.03 -51.38 31.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.455 ' CE2' HD13 ' A' ' 803' ' ' LEU . 19.2 t80 -49.76 -56.33 10.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -50.14 -50.43 48.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.59 -59.19 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 41.8 tp -49.5 -65.02 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 799' ' ' PHE . 37.3 mt -40.88 -64.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.3 t -47.21 -44.2 22.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -57.88 -28.73 64.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.27 34.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 56.4 m-70 33.25 55.0 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 42.5 mt -44.25 159.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -137.33 164.22 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 71.2 m -62.69 -38.38 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.61 29.93 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 10.1 t -69.28 130.65 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.31 139.19 34.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.453 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.3 t-105 -63.02 -55.68 23.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -44.17 -40.69 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -73.1 -63.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.453 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.6 OUTLIER -47.65 -29.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -75.07 -48.33 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -22.33 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -85.99 -41.94 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 824' ' ' ASP . 26.8 m -77.17 -29.94 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.8 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 821' ' ' VAL . 50.3 m -84.87 26.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.6 t70 -135.96 139.86 31.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.75 -28.17 25.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -62.12 -35.48 78.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -64.2 -24.52 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -78.39 -21.01 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.63 -54.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 3.9 t -67.83 106.66 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -66.57 -57.11 7.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 127.96 34.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 21.9 m -66.1 -42.19 89.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.0 m -47.83 -45.2 29.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 79.7 mmm -52.83 -57.27 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.43 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 65.1 mtm180 -51.47 -60.95 2.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -45.91 -44.24 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.35 -65.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.448 HD13 ' CD2' ' A' ' 799' ' ' PHE . 81.5 mt -41.39 -51.62 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.81 -51.23 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.25 -41.02 83.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -56.77 -61.54 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -48.18 -53.63 16.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 10.2 mm -56.28 -49.83 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -47.68 -39.66 17.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -67.74 -49.42 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 850' ' ' ASN . 80.8 mt -51.2 -66.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -41.56 -38.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -100.36 39.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 847' ' ' ILE . 49.1 t30 -103.55 -20.61 13.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 851' ' ' LEU . 0.3 OUTLIER -111.27 44.72 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 852' ' ' ASP . 34.2 t0 -81.92 125.4 30.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.7 t -65.42 141.58 58.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 28.8 t -173.84 129.17 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -92.02 145.28 17.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 39.7 m -117.75 175.23 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 63.2 m -52.64 149.2 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 778' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 777' ' ' GLY . 6.4 t -35.89 107.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 6.6 t -48.08 -46.28 33.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 114.28 174.96 18.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 8.2 t -73.99 163.52 27.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 11.2 t 43.87 41.68 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -84.73 -90.37 0.81 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -124.93 40.9 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -55.79 147.05 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -73.53 86.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -113.63 110.83 20.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 19.7 m -82.86 94.54 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -101.44 -45.53 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 14.5 m -102.1 48.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -84.13 44.05 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -89.19 -42.97 5.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -55.1 -49.98 70.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -46.53 -55.08 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.433 ' CG2' HG22 ' A' ' 830' ' ' VAL . 39.1 mt -55.72 -48.7 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -44.43 81.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.9 t -58.91 -45.97 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.63 -47.84 81.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' A' ' 803' ' ' LEU . 27.7 t80 -52.17 -55.73 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -54.25 -50.86 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -44.35 -53.82 6.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.06 -64.17 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 799' ' ' PHE . 42.2 mt -42.46 -60.21 1.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 93.4 p -52.35 -42.41 63.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 62.7 m-20 -58.85 -25.7 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.6 m-70 -82.14 35.16 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.3 OUTLIER 33.29 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 96.7 mt -44.45 156.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.83 167.55 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 22.7 p -69.76 -10.24 57.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -118.11 29.83 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 7.0 m -77.01 127.1 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -102.89 123.44 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.508 ' CE2' ' HD3' ' A' ' 818' ' ' LYS . 26.6 t-105 -45.74 -68.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 814' ' ' TRP . 61.7 p -34.8 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -70.61 -63.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.402 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.4 OUTLIER -49.08 -27.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 19.6 ttpt -73.0 -51.57 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -66.1 -14.92 62.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -91.14 -41.51 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.52 HG21 ' CD2' ' A' ' 827' ' ' TYR . 33.8 m -77.52 -29.76 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -38.77 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.8 m -83.54 24.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.8 t70 -133.05 139.97 36.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.71 -31.8 20.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -61.05 -37.92 84.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.52 ' CD2' HG21 ' A' ' 821' ' ' VAL . 10.9 t80 -62.43 -25.01 67.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -76.66 -26.7 55.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.06 -54.15 17.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.433 HG22 ' CG2' ' A' ' 795' ' ' ILE . 48.2 t -70.89 107.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.9 -43.06 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 24.6 m -71.16 118.92 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 31.1 t -61.05 -49.49 77.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -44.13 -41.74 5.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 81.5 mmm -59.23 -49.19 78.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -60.5 -56.3 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.72 -54.43 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.95 -65.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 79.1 mt -44.08 -54.85 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.18 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -46.68 -44.11 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.07 -53.55 51.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.54 -53.37 47.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.0 mm -57.45 -47.47 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -49.83 -40.42 41.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.25 -53.14 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 77.6 mt -47.2 -64.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -41.88 -46.32 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -42.5 -49.87 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -106.64 92.82 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 16.8 tp -82.13 51.42 1.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -67.86 104.72 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 90.0 p -86.15 160.81 19.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 6.1 t -69.3 -58.94 3.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 174.25 -96.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 90.94 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.695 2.264 . . . . 0.0 112.313 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 56.9 p -167.24 173.2 9.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 58.6 m -104.42 -47.22 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 4.6 m -114.39 151.65 32.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.829 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 84.5 p -136.05 109.31 7.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 108.69 -125.36 7.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 12.0 t -136.03 142.57 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 21.3 m -70.78 -59.22 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 40.48 -147.34 0.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -42.7 120.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -63.94 -54.33 36.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.57 128.75 55.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -127.47 128.77 46.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 28.0 m -58.61 -64.95 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -68.72 -53.11 24.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 17.5 m -82.2 49.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -85.66 48.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 793' ' ' GLU . . . -80.8 -47.89 6.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 792' ' ' GLY . 9.6 mp0 -36.09 -49.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 110.849 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -59.52 -67.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.462 ' CG2' HG23 ' A' ' 830' ' ' VAL . 26.9 mt -43.44 -49.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -52.12 -45.1 64.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.5 m -63.86 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -46.94 -47.86 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 836' ' ' ARG . 19.5 t80 -52.53 -57.67 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . 0.525 ' CZ ' HD23 ' A' ' 839' ' ' LEU . 19.1 m-85 -54.38 -46.05 72.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -47.18 -56.48 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 14.3 tp -57.46 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 85.8 mt -48.85 -62.52 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 15.2 t -48.62 -40.05 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -62.57 -28.26 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.602 ' CE1' ' CG1' ' A' ' 821' ' ' VAL . 8.3 m170 -76.75 44.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.508 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.6 OUTLIER 29.55 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.525 HD11 ' CE1' ' A' ' 843' ' ' TYR . 78.6 mt -49.43 139.0 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -125.4 179.09 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 68.6 p -70.86 -43.06 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -95.35 29.18 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.4 t -63.9 122.64 16.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -94.86 137.83 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.465 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 44.6 t-105 -62.83 -66.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 814' ' ' TRP . 21.4 m -33.72 -40.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -70.7 -62.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.465 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -50.12 -28.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -74.43 -44.51 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.19 -16.87 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -94.77 -38.71 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.602 ' CG1' ' CE1' ' A' ' 806' ' ' HIS . 30.9 m -77.23 -33.24 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -39.56 -25.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.5 t -84.63 24.73 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.1 t70 -133.7 139.9 35.05 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -30.79 21.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -60.77 -36.85 79.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.456 ' CD2' HG22 ' A' ' 821' ' ' VAL . 5.2 t80 -60.4 -27.76 67.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -74.48 -27.54 60.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.36 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 795' ' ' ILE . 6.3 t -73.37 131.63 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -96.46 -54.79 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 75.5 m -70.72 110.58 5.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 97.2 p -51.85 -39.96 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.0 m -48.43 -38.53 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.0 mmm -64.72 -48.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 799' ' ' PHE . 87.8 mtt180 -52.09 -50.52 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.31 -56.72 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -49.41 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.525 HD23 ' CZ ' ' A' ' 800' ' ' PHE . 60.0 mt -46.91 -50.88 18.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.41 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -45.72 -43.32 12.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -54.93 -57.53 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.525 ' CE1' HD11 ' A' ' 808' ' ' LEU . 11.5 t80 -50.81 -55.44 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 18.7 mm -51.57 -47.25 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.33 -42.7 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -63.36 -46.91 84.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 84.6 mt -53.82 -65.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -50.78 -45.53 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -90.22 43.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -103.26 42.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.1 mp -137.33 174.44 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.6 130.64 38.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.9 m -76.53 -55.18 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 79.7 p -135.03 166.2 23.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -55.86 159.46 7.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 175.11 8.54 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 88.0 p -145.57 147.28 31.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 12.9 m -144.09 136.85 27.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 50.2 m 39.1 39.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 1.3 t -119.8 87.11 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -131.92 165.46 23.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 35.9 m -142.95 129.27 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 35.3 m -107.18 168.26 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.798 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -170.02 155.06 24.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 784' ' ' GLU . 8.9 pt-20 -101.41 115.53 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.864 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.01 -25.68 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 787' ' ' ASP . 12.2 pt-20 -131.33 -46.75 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 81.0 m-20 -81.23 50.94 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 791' ' ' ARG . 66.6 m -81.28 -54.12 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -43.21 -55.75 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 14.2 t -65.68 -18.75 65.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 788' ' ' SER . 9.6 tpp180 -70.82 -50.16 38.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -59.4 -53.64 44.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.66 -57.06 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.958 0.408 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -44.43 -58.4 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.78 -51.42 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -49.16 -43.55 42.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 8.2 t -59.51 -56.81 17.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . 0.553 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -52.87 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.553 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 10.9 t80 -42.51 -61.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -50.35 -55.98 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 29.8 mt-10 -40.57 -58.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 806' ' ' HIS . 58.2 tp -51.96 -67.19 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 59.3 mt -39.18 -60.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 76.6 p -52.76 -40.07 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.8 m-20 -62.0 -24.3 66.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.473 ' CD2' HD12 ' A' ' 802' ' ' LEU . 19.8 m-70 -83.85 31.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 806' ' ' HIS . 85.4 m-70 35.31 54.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 843' ' ' TYR . 89.3 mt -43.72 166.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -153.15 162.43 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 86.5 p -59.03 -17.01 21.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -110.12 26.22 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' SER . . . . . 0.447 ' OG ' ' CD1' ' A' ' 844' ' ' ILE . 6.8 p -65.68 122.16 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -102.11 114.1 27.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.415 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 30.0 t-105 -42.92 -54.28 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -47.02 -39.48 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -74.69 -63.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.415 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.7 OUTLIER -47.61 -29.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -76.38 -48.54 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -66.84 -16.1 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -93.58 -40.52 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 823' ' ' SER . 31.9 m -77.37 -29.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -38.71 -26.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 4.5 t -83.09 24.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 10.7 t70 -137.25 140.63 31.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.468 ' HA ' ' CE ' ' A' ' 828' ' ' LYS . 53.8 Cg_endo -69.76 -32.99 17.51 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . 0.416 ' NH2' HD11 ' A' ' 802' ' ' LEU . 49.9 mtm180 -52.55 -41.96 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.2 t80 -62.52 -36.76 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 825' ' ' PRO . 8.1 mtmt -71.52 -19.68 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 836' ' ' ARG . 42.2 t -63.16 122.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -93.93 -52.78 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 51.4 m -71.97 120.08 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 86.7 p -61.6 -41.5 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 26.4 t -48.43 -42.85 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 80.0 mmm -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.425 ' HG3' ' CG1' ' A' ' 830' ' ' VAL . 46.6 mtm180 -55.77 -61.39 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.94 -55.66 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.59 -61.09 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.1 -52.48 34.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.95 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -50.74 -39.17 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -56.52 -55.83 28.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.57 ' CD1' HD13 ' A' ' 808' ' ' LEU . 13.5 t80 -55.9 -54.63 42.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . 0.447 ' CD1' ' OG ' ' A' ' 812' ' ' SER . 27.9 mm -54.06 -45.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.59 -44.66 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.72 -64.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -50.08 -38.32 37.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -70.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -112.3 98.13 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.37 158.62 16.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.95 146.05 25.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 26.8 p -51.88 117.89 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 41.0 t -111.71 163.74 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -86.08 -95.64 0.8 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 87.52 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 92.5 p -83.27 -50.18 8.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.1 t -90.34 125.3 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 20.4 m -51.11 150.25 3.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 28.3 t -117.73 107.45 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 174.91 141.28 3.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.4 p -125.78 -45.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 3.4 m -81.66 105.76 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 166.57 -127.44 1.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -125.73 146.37 49.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.401 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 41.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -92.89 42.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -123.43 148.66 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.9 t -86.51 -28.74 23.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -54.48 -47.98 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.3 t -46.0 -23.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -60.73 -45.11 95.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -48.4 -40.44 23.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -39.52 -53.84 2.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.933 0.397 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -54.5 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 830' ' ' VAL . 18.2 mt -44.27 -45.11 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -60.35 -57.25 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.3 t -53.59 -58.35 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 798' ' ' ASP . 0.7 OUTLIER -48.52 -60.76 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.474 ' CD2' HD13 ' A' ' 839' ' ' LEU . 9.6 t80 -38.38 -54.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.17 -51.8 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.22 -65.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 44.4 tp -45.86 -66.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 77.0 mt -39.64 -61.34 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 13.6 t -51.82 -40.11 59.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -59.95 -27.15 66.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.556 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.5 m170 -78.76 43.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.488 ' C ' ' O ' ' A' ' 806' ' ' HIS . 93.8 m-70 31.06 55.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 843' ' ' TYR . 86.4 mt -50.64 155.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -162.07 176.78 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 37.5 p -59.12 -39.27 81.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -84.65 30.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 69.2 p -76.55 120.48 21.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -106.82 136.62 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.2 t-105 -64.42 -57.77 8.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.6 m -42.24 -44.03 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -71.75 -63.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.61 -26.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 821' ' ' VAL . 26.9 tttp -81.11 -40.01 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.98 -18.6 61.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.32 -34.7 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 827' ' ' TYR . 27.2 m -79.55 -31.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -44.76 -22.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.2 t -86.1 25.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.7 t70 -135.02 139.82 33.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.522 0.677 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.2 Cg_endo -69.82 -31.84 19.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -63.53 -30.56 71.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.56 ' CD2' HG22 ' A' ' 821' ' ' VAL . 8.8 t80 -66.94 -24.75 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.55 -16.56 55.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 795' ' ' ILE . 9.6 t -85.76 116.89 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -86.46 -51.53 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.7 t -71.19 115.06 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 39.9 t -56.6 -35.43 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.5 m -54.53 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' MET . . . . . 0.419 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 83.7 mmm -66.62 -46.22 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.496 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 78.2 mtt180 -55.55 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.21 -47.8 75.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.36 -65.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 799' ' ' PHE . 80.6 mt -46.62 -52.36 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -52.08 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -50.52 -44.87 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -50.51 -61.21 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 804' ' ' SER . 19.5 t80 -49.4 -60.91 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.95 -50.01 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.06 -50.17 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -55.23 -41.71 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 76.1 mt -62.02 -64.06 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 851' ' ' LEU . . . -51.55 -60.39 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -62.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 850' ' ' ASN . 2.6 t30 -112.78 95.77 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 848' ' ' ALA . 3.7 mm? -68.44 127.27 32.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.72 168.36 2.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 81.0 p -95.98 132.91 40.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 84.7 p -83.58 172.47 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 165.51 -157.25 29.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 2.84 3.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.732 2.288 . . . . 0.0 112.356 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 30.2 p -58.78 136.69 57.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 96.0 p -57.56 -14.63 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 56.6 m -157.1 171.3 20.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 44.0 m -109.12 172.3 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -117.57 -169.2 14.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 782' ' ' SER . 60.7 m -160.1 157.43 28.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 781' ' ' SER . 4.0 m -35.3 147.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -142.89 -119.46 1.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 786' ' ' GLU . 4.7 tp10 -154.5 126.48 7.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.05 93.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 784' ' ' GLU . 17.2 pt-20 -84.99 146.21 27.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.36 141.18 45.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 65.6 m -131.84 127.52 36.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -29.14 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 76.2 m -131.42 -32.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -49.73 -46.73 50.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 793' ' ' GLU . . . -45.87 -60.52 4.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 792' ' ' GLY . 3.7 tp10 -37.08 -46.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.389 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -63.55 -55.21 25.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.8 mt -53.01 -52.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -49.45 77.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 7.7 t -55.23 -58.91 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -48.81 -47.26 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -52.45 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -47.86 -47.29 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -48.04 -61.19 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 47.3 tp -49.89 -62.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 66.9 mt -39.47 -63.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 10.5 p -49.68 -40.19 39.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.09 -26.9 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.7 m-70 -83.69 31.41 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.8 m-70 33.89 54.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 844' ' ' ILE . 72.8 mt -47.28 157.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -143.3 170.56 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.3 p -65.4 -24.62 67.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -101.35 30.18 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 26.3 p -63.15 127.4 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 816' ' ' LYS . 1.1 tpm_? -104.62 100.31 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 813' ' ' ARG . 27.0 t-105 -36.5 -47.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 57.9 m -52.97 -42.69 65.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 813' ' ' ARG . 14.4 mmtp -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 818' ' ' LYS . 0.5 OUTLIER -49.32 -37.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.406 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 21.9 ttpp -66.88 -47.82 70.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.42 -15.81 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 -36.93 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 824' ' ' ASP . 30.1 m -82.32 -29.84 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -41.39 -25.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 821' ' ' VAL . 70.6 m -83.96 20.92 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.6 t70 -128.97 139.91 37.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.93 21.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -59.67 -35.91 75.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.96 -27.9 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -77.66 -23.33 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.19 55.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 43.5 t -73.1 92.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.22 -48.78 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.1 t -72.24 155.45 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 13.6 m -93.64 -42.07 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 12.4 t -48.53 -42.84 34.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' MET . . . . . 0.433 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 78.2 mmm -57.47 -47.8 80.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -54.9 -52.35 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.92 -62.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -46.45 -64.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 74.7 mt -47.39 -43.91 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.5 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -51.86 -48.79 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.48 -55.45 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -53.17 -62.33 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 31.7 mm -48.21 -46.1 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.89 -41.07 64.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -64.85 -44.39 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.31 -65.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.26 11.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -46.1 166.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -69.78 78.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.596 ' CD2' ' N ' ' A' ' 852' ' ' ASP . 0.0 OUTLIER -93.67 179.98 5.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . 0.596 ' N ' ' CD2' ' A' ' 851' ' ' LEU . 13.9 t0 -137.55 138.04 39.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 38.5 m -101.3 145.05 29.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 57.6 m -68.1 -57.24 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 148.32 126.11 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -34.49 14.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 86.2 p -52.59 140.62 22.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 33.6 t -162.65 150.14 13.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 1.5 t 45.61 42.15 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 27.6 t -155.19 139.25 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 136.77 122.41 2.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 2.2 m -117.99 175.08 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 6.2 m -73.52 -55.16 6.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 179.82 173.79 45.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 54.43 51.01 14.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -97.8 121.42 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -105.98 41.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.97 168.39 10.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 10.2 m -83.46 44.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -85.76 -52.22 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.3 t -60.91 -31.23 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -44.32 -51.67 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -52.31 -54.8 25.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.85 -53.81 52.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -52.67 -59.93 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 23.4 mt -49.62 -40.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -62.52 -49.08 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 5.8 m -55.08 -55.0 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.29 -43.22 67.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.482 ' CD2' HD12 ' A' ' 839' ' ' LEU . 16.0 t80 -52.74 -60.25 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -51.03 -54.33 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 55.1 mt-10 -43.31 -54.4 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 24.4 tp -55.07 -62.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.446 HD12 ' CE2' ' A' ' 799' ' ' PHE . 48.0 mt -41.16 -62.68 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.977 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 26.4 t -49.26 -39.84 32.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 33.8 m-20 -63.09 -25.62 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.59 ' CE1' ' CG1' ' A' ' 821' ' ' VAL . 8.8 m-70 -81.15 38.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.2 t-160 32.11 54.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 843' ' ' TYR . 75.0 mt -47.47 165.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 810' ' ' SER . 0.7 OUTLIER -157.56 165.72 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 809' ' ' ASP . 81.9 p -59.72 -42.54 93.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -89.97 30.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 35.0 t -72.32 125.4 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 813' ' ' ARG . 5.4 mmm180 -98.21 132.59 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.422 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.2 t-105 -56.65 -61.27 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.5 m -40.19 -39.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -73.42 -64.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.422 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -47.74 -28.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -76.91 -46.04 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -16.71 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -92.81 -31.68 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.59 ' CG1' ' CE1' ' A' ' 806' ' ' HIS . 34.2 m -89.59 -29.13 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 823' ' ' SER . 20.9 pt-20 -46.16 -45.34 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 21.9 t -48.18 -30.36 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -86.3 140.19 34.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.6 Cg_endo -69.7 -28.81 25.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -56.68 -37.52 70.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 821' ' ' VAL . 5.8 t80 -61.01 -34.48 74.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.26 -26.3 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -45.11 -58.36 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.442 ' O ' ' NH1' ' A' ' 836' ' ' ARG . 59.9 t -66.24 99.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -75.37 -37.01 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 56.1 m -74.2 118.74 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 37.9 t -62.69 -52.25 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.6 m -42.12 -42.37 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.4 mmm -63.82 -42.35 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 830' ' ' VAL . 82.6 mtm-85 -56.08 -55.68 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.7 -56.49 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.09 -61.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.482 HD12 ' CD2' ' A' ' 799' ' ' PHE . 70.3 mt -48.52 -58.32 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -50.9 -62.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -47.77 -45.42 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -52.6 -56.94 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.564 ' CD1' HD13 ' A' ' 808' ' ' LEU . 17.5 t80 -51.34 -60.34 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.0 mm -50.56 -50.49 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -47.11 -43.76 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -62.98 -48.89 76.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 79.7 mt -51.92 -66.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -48.09 -50.75 27.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -41.45 -50.82 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -106.79 92.51 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 20.1 mt -51.27 133.47 28.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.15 126.8 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 23.7 t -86.75 99.24 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 1.9 m -148.06 163.03 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -53.25 -68.89 1.4 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 106.13 1.61 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 20.0 m -110.69 134.58 52.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 27.3 p -133.85 42.5 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 71.1 m -65.59 -52.85 49.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 90.5 p -53.18 141.02 24.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 781' ' ' SER . . . 156.49 -39.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 780' ' ' GLY . 97.0 p -34.9 149.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.795 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 1.1 t -171.47 175.17 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -156.59 127.6 2.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -154.84 121.41 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -117.24 171.45 7.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -49.59 -36.3 23.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -82.68 144.68 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 33.1 t -87.42 57.82 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 789' ' ' LYS . 1.7 mmmp? -119.48 -39.78 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.4 t -92.23 -8.34 45.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.04 31.24 4.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -75.67 -51.37 7.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -41.88 -54.93 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -51.23 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -54.14 -58.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -44.42 -50.79 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.4 t -52.72 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . 0.561 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -41.18 -55.69 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.561 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 20.2 t80 -41.52 -59.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.59 -55.47 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -41.13 -59.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.451 HD23 ' CG1' ' A' ' 821' ' ' VAL . 57.3 tp -50.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 33.8 mt -41.6 -64.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -47.43 -44.49 24.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -57.08 -28.27 62.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.8 m-70 -81.09 37.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.4 t-80 31.93 55.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 93.3 mt -46.63 153.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.6 OUTLIER -134.7 172.41 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 2.6 t -68.35 -28.25 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -106.03 29.19 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 10.5 t -65.4 125.13 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -93.91 142.36 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.466 ' CZ2' ' HB3' ' A' ' 836' ' ' ARG . 28.1 t-105 -69.71 -46.92 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t -52.66 -43.61 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -71.29 -62.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 818' ' ' LYS . 0.5 OUTLIER -46.32 -38.52 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . 0.425 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 18.7 tttt -69.37 -44.06 72.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.73 -12.63 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -96.57 -35.57 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 824' ' ' ASP . 18.8 m -84.24 -30.13 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -41.39 -24.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 821' ' ' VAL . 64.2 m -85.07 22.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.3 t70 -133.37 139.87 35.37 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.858 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.8 Cg_endo -69.75 -30.94 21.53 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -60.4 -34.93 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.478 ' CD2' HG22 ' A' ' 821' ' ' VAL . 6.3 t80 -63.29 -25.96 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -74.71 -26.12 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -45.66 -42.38 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.49 135.06 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.53 -54.17 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 t -70.81 131.6 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 9.2 t -66.44 -39.72 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 97.6 p -51.11 -39.2 55.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.5 mmm -62.94 -49.8 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.466 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 20.8 mtt85 -53.45 -49.98 66.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.41 -52.56 45.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.1 -64.71 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 799' ' ' PHE . 83.3 mt -44.77 -50.08 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -58.84 -62.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -49.34 -36.62 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -58.27 -57.71 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -52.43 -57.14 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.9 mm -51.7 -51.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.28 -45.35 23.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -60.45 -47.2 87.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 75.4 mt -54.42 -64.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -53.26 -42.4 66.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -84.27 42.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -122.1 43.19 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 40.2 mt -97.27 171.13 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -76.6 140.35 40.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 27.0 p -134.06 139.88 46.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 11.0 t -104.75 42.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 132.62 71.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 110.93 2.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.33 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 4.8 m -64.49 -53.67 44.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 5.9 m -100.15 151.58 21.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 23.7 t -139.8 140.67 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 64.9 m -102.84 48.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 174.61 59.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 90.6 p -138.11 115.48 11.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 82.1 p -129.66 116.02 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 70.84 56.21 7.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -152.64 133.27 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 785' ' ' LYS . 0.0 OUTLIER -105.51 38.68 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -121.67 113.71 20.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -119.69 94.13 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 789' ' ' LYS . 19.7 m -85.0 -44.7 12.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 788' ' ' SER . 8.5 mmmm -37.34 -48.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 9.9 t -138.54 119.19 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -122.3 -54.41 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -56.83 -51.04 59.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.73 -53.28 59.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -46.09 -51.41 13.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 50.8 mt -56.23 -48.77 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -54.5 -54.77 36.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.2 t -56.83 -56.58 19.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.75 -45.08 63.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' PHE . . . . . 0.432 ' CE2' HD13 ' A' ' 803' ' ' LEU . 18.4 t80 -51.85 -53.51 39.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -53.18 -52.99 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -45.16 -51.78 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.441 ' CD2' ' HB ' ' A' ' 821' ' ' VAL . 53.5 tp -55.12 -64.04 0.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 799' ' ' PHE . 36.2 mt -43.48 -63.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 12.2 t -46.68 -48.05 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -54.11 -29.73 45.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.476 ' O ' ' C ' ' A' ' 807' ' ' HIS . 45.2 m-70 -80.81 38.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.6 m80 31.01 54.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 843' ' ' TYR . 56.2 mt -43.54 164.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.8 OUTLIER -146.34 172.25 13.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.3 p -67.82 -46.28 72.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -90.86 29.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' SER . . . . . 0.47 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.7 t -66.75 120.21 13.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -88.25 134.38 33.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' TRP . . . . . 0.44 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 23.7 t-105 -59.57 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 67.0 m -43.33 -44.45 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -70.25 -64.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' VAL . . . . . 0.44 ' CG1' ' CE3' ' A' ' 814' ' ' TRP . 0.5 OUTLIER -47.84 -27.67 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.32 -48.51 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.82 -14.43 63.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -92.1 -39.56 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' VAL . . . . . 0.45 HG22 ' CD2' ' A' ' 827' ' ' TYR . 12.5 m -83.29 -28.93 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 823' ' ' SER . 6.3 pt-20 -48.37 -35.14 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' SER . . . . . 0.472 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 1.4 t -53.2 -30.51 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.445 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -87.85 140.34 31.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.8 -19.28 36.16 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -66.02 -32.5 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' TYR . . . . . 0.45 ' CD2' HG22 ' A' ' 821' ' ' VAL . 2.0 t80 -70.61 -15.15 62.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.17 -10.46 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.46 91.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.32 102.14 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -76.67 -40.3 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' SER . . . . . 0.454 ' HB2' ' CG ' ' A' ' 835' ' ' MET . 70.9 m -72.69 117.54 14.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 78.6 p -61.13 -40.8 95.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 54.3 p -55.91 -35.07 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' MET . . . . . 0.454 ' CG ' ' HB2' ' A' ' 832' ' ' SER . 89.4 mmm -62.69 -44.65 95.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . 0.402 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.8 mtm180 -63.43 -55.97 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.64 -50.25 72.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.79 -59.51 5.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 73.1 mt -50.32 -56.99 8.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -54.91 -59.79 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -48.75 -41.81 33.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -56.78 -53.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' TYR . . . . . 0.522 ' CD1' HD13 ' A' ' 808' ' ' LEU . 10.3 t80 -54.82 -56.56 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.21 -49.91 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.13 -45.33 32.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.53 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.55 -64.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -50.29 -46.59 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -54.87 -53.33 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -83.13 84.14 7.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.84 137.74 57.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -87.87 -56.01 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 12.9 t -50.33 153.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.806 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 17.6 m -155.43 118.91 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -164.54 -102.55 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.434 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.03 28.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.248 . . . . 0.0 112.358 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 70.6 m -56.5 137.32 53.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 83.2 p -94.15 120.3 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.44 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.933 0.397 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 794' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 6.4 ptmm? -53.56 -42.15 67.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.439 ' N ' ' HG3' ' A' ' 794' ' ' LYS . 98.8 mt -58.83 -39.42 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -64.2 -48.87 74.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.9 t -55.47 -49.3 72.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -56.34 -45.42 80.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -52.58 -59.41 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -52.12 -53.68 39.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 16.1 mt-10 -42.69 -56.76 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.442 HD13 HH21 ' A' ' 826' ' ' ARG . 35.5 tp -53.35 -66.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.695 ' HB3' HD11 ' A' ' 808' ' ' LEU . 25.6 mt -41.06 -60.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 50.4 p -52.19 -43.5 64.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 805' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.1 m-20 -57.11 -27.14 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.59 30.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.9 m170 33.81 54.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 803' ' ' LEU . 51.6 mt -42.75 148.6 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.05 153.63 51.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.1 p -47.67 -38.27 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.74 26.92 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 m -65.57 138.69 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.27 120.92 32.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.404 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 27.8 t-105 -44.28 -51.07 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.0 p -50.29 -40.37 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -73.62 -61.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.911 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.77 -33.35 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.523 ' HA ' HG22 ' A' ' 821' ' ' VAL . 22.1 ttpp -72.78 -45.08 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.11 -14.64 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -99.38 -40.11 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 817' ' ' VAL . 22.6 m -76.9 -29.59 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.94 -43.18 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 15.7 t -54.17 -30.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -83.96 140.03 40.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.623 0.725 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.9 Cg_endo -69.72 -24.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.442 HH21 HD13 ' A' ' 802' ' ' LEU . 85.2 mtm-85 -59.22 -40.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.37 -27.21 68.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -72.81 -23.19 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.19 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.09 116.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.2 -41.46 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.6 t -74.08 123.45 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.9 m -66.08 -48.65 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.4 m -43.36 -44.3 5.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' MET . . . . . 0.42 ' O ' ' CG ' ' A' ' 839' ' ' LEU . 70.3 mmm -60.17 -38.19 82.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.404 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.0 mtt180 -64.48 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -53.96 -50.0 67.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -58.12 -59.67 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.42 ' CG ' ' O ' ' A' ' 835' ' ' MET . 54.5 mt -53.11 -60.28 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 840' ' ' PHE . . . . . 0.4 ' CE1' HG11 ' A' ' 817' ' ' VAL . 70.4 t80 -50.72 -52.39 40.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -56.51 -42.29 78.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -54.87 -58.94 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.458 ' CE1' HD11 ' A' ' 847' ' ' ILE . 6.4 t80 -52.46 -57.19 10.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.614 ' CD1' HD13 ' A' ' 808' ' ' LEU . 32.6 mm -52.68 -44.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.184 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.65 -44.55 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -62.41 -46.28 89.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 843' ' ' TYR . 64.5 mt -55.56 -64.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.797 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.939 0.399 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -48.45 -60.28 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 18.9 mt -44.44 -52.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -54.36 -49.38 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.8 t -51.87 -54.94 23.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -57.02 -40.9 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 803' ' ' LEU . 16.7 t80 -56.44 -56.66 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.2 -45.68 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.95 -55.08 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.87 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' ' 808' ' ' LEU . 24.9 mt -39.99 -60.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 11.2 t -52.79 -44.91 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -54.77 -26.76 36.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 807' ' ' HIS . 15.4 m-70 -82.86 33.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.2 p80 33.41 54.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.659 HD13 ' CD1' ' A' ' 844' ' ' ILE . 33.4 mt -43.86 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 812' ' ' SER . 1.0 OUTLIER -147.08 168.88 20.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 56.2 p -64.17 -36.4 83.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -87.7 18.1 4.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.0 m -61.91 130.78 47.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -113.15 149.25 33.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 815' ' ' SER . 29.8 t-105 -66.34 -69.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 814' ' ' TRP . 50.0 m -35.07 -39.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.41 -64.1 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.6 OUTLIER -47.39 -28.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' A' ' 821' ' ' VAL . 27.8 tttp -76.0 -48.32 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.53 -16.69 64.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -92.8 -41.45 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 817' ' ' VAL . 35.0 m -77.66 -31.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -39.1 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 821' ' ' VAL . 2.2 t -84.67 27.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -136.07 139.86 31.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.78 -31.48 20.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -58.78 -35.37 72.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 836' ' ' ARG . 14.2 t80 -64.02 -30.86 71.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -51.79 -49.13 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.53 129.99 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -88.03 -50.08 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 4.4 m -74.13 148.53 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.5 m -82.83 -48.29 10.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 55.2 m -45.11 -43.25 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.26 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.521 ' HD3' ' CE2' ' A' ' 827' ' ' TYR . 5.4 mtt85 -55.38 -56.84 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.94 -54.8 40.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -51.58 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.6 -55.31 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.1 -60.28 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -47.28 -45.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -51.23 -59.18 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.415 ' CD1' HD12 ' A' ' 808' ' ' LEU . 9.3 t80 -50.88 -55.69 15.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.659 ' CD1' HD13 ' A' ' 808' ' ' LEU . 9.6 mm -51.41 -50.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.08 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -48.94 -45.38 41.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.45 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -48.44 -58.1 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.822 HG23 ' HB1' ' A' ' 829' ' ' ALA . 77.4 mt -47.1 -46.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.48 -60.09 4.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.5 t -43.47 -55.41 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 -53.3 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 803' ' ' LEU . 17.7 t80 -49.0 -57.79 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -52.41 -50.84 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.34 -56.98 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.552 HD21 ' HB ' ' A' ' 821' ' ' VAL . 40.2 tp -53.21 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.832 ' HB3' HD11 ' A' ' 808' ' ' LEU . 39.4 mt -43.35 -63.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 92.8 p -48.67 -46.41 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -56.6 -26.84 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -84.11 30.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.9 m170 34.46 55.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 803' ' ' LEU . 68.1 mt -43.24 164.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.73 175.69 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 13.8 t -71.52 -40.81 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -85.78 30.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.8 p -65.58 124.18 21.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 813' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 814' ' ' TRP . 2.3 mmp_? -103.32 106.09 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.45 ' C ' ' O ' ' A' ' 813' ' ' ARG . 29.5 t-105 -34.3 -61.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.5 p -40.62 -41.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 813' ' ' ARG . 12.9 mmtm -72.54 -63.95 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.4 OUTLIER -47.79 -26.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.43 ' HA ' HG22 ' A' ' 821' ' ' VAL . 23.8 tttt -79.8 -41.18 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 819' ' ' ASP . . . . . 0.415 ' C ' ' HG2' ' A' ' 822' ' ' GLU . 4.3 t70 -71.42 -17.23 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -91.79 -39.95 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 817' ' ' VAL . 35.5 m -80.1 -35.32 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 822' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 819' ' ' ASP . 10.4 pt-20 -39.29 -27.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 821' ' ' VAL . 1.3 t -84.69 25.98 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.9 t70 -136.52 139.95 30.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.78 21.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -59.97 -35.29 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 2.1 t80 -62.5 -29.21 70.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -71.06 -26.15 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.822 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -43.2 -44.62 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 836' ' ' ARG . 60.1 t -78.18 115.16 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.5 -47.18 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 72.4 m -72.01 110.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 7.2 m -46.24 -41.87 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 835' ' ' MET . 15.8 m -50.96 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 835' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 834' ' ' SER . 96.9 mmm -34.41 -48.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.524 ' HG3' HG11 ' A' ' 830' ' ' VAL . 49.8 mtm180 -59.13 -56.65 19.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.43 -54.54 45.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.57 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.22 -57.87 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -49.24 -55.64 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -53.59 -47.03 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -51.44 -64.92 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.431 ' CE1' HD11 ' A' ' 847' ' ' ILE . 4.5 t80 -42.73 -58.42 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 19.3 mm -52.6 -53.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -43.06 -44.32 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -65.06 -47.0 78.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.431 HD11 ' CE1' ' A' ' 843' ' ' TYR . 85.2 mt -52.68 -65.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 794' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 19.6 ptmt -55.45 -52.67 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.658 ' CG2' HG22 ' A' ' 830' ' ' VAL . 4.3 mp -46.59 -51.83 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -47.38 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.5 t -53.13 -56.46 16.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 798' ' ' ASP . . . . . 0.565 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -58.2 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.565 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 12.1 t80 -39.64 -49.61 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -62.69 -46.62 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 0.1 OUTLIER -50.18 -47.68 54.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.588 HD21 ' HB ' ' A' ' 821' ' ' VAL . 16.7 tp -61.19 -60.69 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.82 ' HB3' HD11 ' A' ' 808' ' ' LEU . 35.0 mt -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 804' ' ' SER . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 843' ' ' TYR . 95.5 p -51.55 -32.18 27.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 805' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 12.7 m-20 -75.22 -22.61 57.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.438 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.9 m170 -84.21 32.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 806' ' ' HIS . 1.6 t-80 34.59 54.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 803' ' ' LEU . 25.5 mt -48.75 168.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 809' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 810' ' ' SER . 0.9 OUTLIER -151.92 160.8 43.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 810' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 89.6 p -55.69 -42.11 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -88.36 30.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 32.4 m -83.78 125.36 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -98.58 149.07 23.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.531 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 40.5 t-105 -63.39 -69.11 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.3 t -33.78 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 814' ' ' TRP . 34.7 mmtt -74.34 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 821' ' ' VAL . 1.0 OUTLIER -53.86 -43.73 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.55 ' HA ' HG22 ' A' ' 821' ' ' VAL . 3.4 ptmm? -68.42 -36.05 78.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -80.79 -32.27 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 817' ' ' VAL . 34.1 m -82.52 -29.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 822' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 821' ' ' VAL . 8.5 pt-20 -36.38 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 27.6 m -84.19 30.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.2 t70 -140.09 139.99 22.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.75 -26.38 27.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -64.11 -31.47 72.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.86 -22.53 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -79.29 -16.36 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.62 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.658 HG22 ' CG2' ' A' ' 795' ' ' ILE . 13.5 t -75.82 137.45 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -113.25 -34.31 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m -81.28 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 79.0 p -53.99 -45.37 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.2 t -46.12 -41.81 12.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 76.1 mmm -69.09 -38.75 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.512 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 4.4 mmt85 -54.17 -57.23 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -55.66 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -47.57 -59.33 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.53 -55.58 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 814' ' ' TRP . 50.9 t80 -53.01 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -49.24 -41.96 39.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -54.8 -58.69 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 808' ' ' LEU . 17.1 t80 -50.73 -56.0 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.567 ' CD1' HD13 ' A' ' 808' ' ' LEU . 5.0 mm -48.71 -52.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -49.87 -41.92 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -62.84 -39.54 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -62.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -57.97 -60.22 4.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 795' ' ' ILE . 5.0 mp -55.1 -39.9 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -57.57 -47.55 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 61.6 p -64.57 -52.95 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.18 -50.41 64.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.78 -52.39 60.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -54.46 -51.28 65.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.0 -59.17 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.468 HD21 HG12 ' A' ' 821' ' ' VAL . 51.0 tp -49.52 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 808' ' ' LEU . 23.3 mt -43.01 -65.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 54.8 p -47.68 -45.44 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.61 -26.49 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 10.2 m-70 -83.57 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 28.6 m80 33.19 54.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 803' ' ' LEU . 75.2 mt -44.94 163.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.71 179.51 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 90.0 p -76.58 -30.07 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -95.91 26.59 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.2 m -73.18 130.11 39.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -111.48 140.67 45.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 815' ' ' SER . 31.7 t-105 -54.54 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 814' ' ' TRP . 25.6 m -34.27 -41.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.3 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.61 -27.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.405 ' HA ' HG22 ' A' ' 821' ' ' VAL . 12.4 tttt -75.01 -48.14 25.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.31 -22.74 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -83.41 -42.48 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.6 m -76.94 -29.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.43 -28.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 58.0 p -86.96 26.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.0 t70 -135.34 140.18 33.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.78 -31.69 19.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -59.5 -30.31 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.592 ' CZ ' ' NH1' ' A' ' 836' ' ' ARG . 3.1 t80 -70.98 -12.96 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -86.88 1.84 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -74.71 -54.71 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.589 HG11 ' HG2' ' A' ' 836' ' ' ARG . 9.0 t -59.98 149.27 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -112.49 -54.06 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.5 t -77.05 148.83 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 35.7 p -80.58 -40.32 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.2 p -54.8 -43.44 72.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 91.3 mmm -56.16 -36.78 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.592 ' NH1' ' CZ ' ' A' ' 827' ' ' TYR . 7.0 mtp180 -68.28 -59.99 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 837' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 841' ' ' LYS . 0.7 OUTLIER -51.22 -39.06 55.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.14 -56.4 6.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -60.37 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -50.86 -54.88 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 837' ' ' GLU . 40.8 mtpt -52.85 -45.7 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.14 -54.24 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 808' ' ' LEU . 12.0 t80 -54.99 -58.31 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 36.4 mm -51.02 -47.26 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -51.07 -45.22 61.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.29 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.42 -63.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 179.813 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.922 0.392 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -66.77 -60.56 2.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.9 mt -44.94 -33.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -73.26 -53.41 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 32.2 t -53.32 -44.22 68.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.62 -53.6 52.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' A' ' 839' ' ' LEU . 17.5 t80 -46.42 -50.2 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -38.06 -51.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' ' 821' ' ' VAL . 53.9 tp -56.97 -62.72 1.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 808' ' ' LEU . 82.9 mt -43.33 -62.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 79.4 p -49.66 -40.32 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 805' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 77.8 m-20 -63.74 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.832 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.5 m-70 -82.35 36.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 806' ' ' HIS . 12.5 t60 32.96 55.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 803' ' ' LEU . 41.0 mt -46.31 168.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.74 177.1 11.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 80.6 p -68.36 -50.96 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -84.5 30.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 t -75.55 121.11 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -97.6 148.18 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.464 ' CE2' ' HD2' ' A' ' 818' ' ' LYS . 29.4 t-105 -61.96 -69.01 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 814' ' ' TRP . 43.5 m -36.39 -35.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -73.63 -57.96 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.845 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -53.6 -43.03 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.733 ' HA ' HG22 ' A' ' 821' ' ' VAL . 9.0 ptmt -70.97 -32.36 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 819' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 815' ' ' SER . 5.5 m-20 -71.08 -23.0 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -93.7 -35.83 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 817' ' ' VAL . 10.8 m -77.08 -29.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 822' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 821' ' ' VAL . 9.5 pt-20 -35.95 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 821' ' ' VAL . 38.0 p -83.73 29.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.0 t70 -136.6 140.03 31.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.73 -27.81 26.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.4 -29.55 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -69.26 -21.71 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -84.33 -10.35 57.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.81 93.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.404 ' CG1' ' HG3' ' A' ' 836' ' ' ARG . 46.1 t -82.99 120.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.31 -44.84 7.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.4 t -70.36 116.06 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 95.7 p -57.07 -49.81 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 34.9 m -44.92 -41.38 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 84.8 mmm -63.41 -49.04 75.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.404 ' HG3' ' CG1' ' A' ' 830' ' ' VAL . 66.0 mtm180 -55.86 -48.54 75.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.74 -55.99 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.0 -57.85 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 799' ' ' PHE . 67.9 mt -46.91 -59.86 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -50.95 -59.07 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -48.25 -45.44 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -54.53 -56.26 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 808' ' ' LEU . 10.7 t80 -54.64 -58.27 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.546 ' CD1' HD13 ' A' ' 808' ' ' LEU . 8.2 mm -50.07 -55.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -44.92 -47.28 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.79 -46.72 84.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.422 HD11 ' CE1' ' A' ' 843' ' ' TYR . 72.0 mt -56.02 -65.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.911 0.386 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -64.32 -49.9 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.445 HG22 HG22 ' A' ' 830' ' ' VAL . 27.7 mt -61.54 -44.43 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 796' ' ' LYS . . . . . 0.403 ' HG3' HD21 ' A' ' 839' ' ' LEU . 21.9 ttpt -55.86 -52.04 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.3 t -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.07 -61.23 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -41.39 -59.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -50.18 -56.69 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -41.2 -51.09 3.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.583 HD21 ' HB ' ' A' ' 821' ' ' VAL . 36.9 tp -57.65 -62.14 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.767 ' HB3' HD11 ' A' ' 808' ' ' LEU . 46.7 mt -42.84 -62.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 15.1 t -48.34 -43.02 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -61.57 -25.53 67.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.0 m-70 -82.61 33.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 806' ' ' HIS . 39.2 m80 34.34 54.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 803' ' ' LEU . 25.7 mt -46.8 174.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -158.43 178.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 50.5 m -74.61 -37.29 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -93.2 29.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.8 m -90.02 123.5 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -95.51 170.35 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.503 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.3 t-105 -75.33 -69.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 814' ' ' TRP . 18.5 m -36.11 -34.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 814' ' ' TRP . 16.5 mmtm -74.66 -59.18 2.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -51.82 -41.61 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.65 ' HA ' HG22 ' A' ' 821' ' ' VAL . 3.4 ptmm? -70.46 -36.89 74.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.3 -26.96 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -85.83 -36.97 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 818' ' ' LYS . 17.4 m -80.96 -28.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 822' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 821' ' ' VAL . 1.3 pp20? -36.5 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 821' ' ' VAL . 11.6 t -83.24 28.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -135.79 140.4 33.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -29.31 23.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.44 -34.11 77.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.23 -21.72 66.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -80.98 -22.89 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -52.56 -50.36 63.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 795' ' ' ILE . 40.3 t -69.04 119.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -92.57 -43.42 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 130.69 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 82.9 p -70.72 -45.48 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.2 t -49.28 -45.24 44.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 82.3 mmm -57.97 -45.86 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 86.7 mtt180 -55.34 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -54.65 -60.46 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -45.45 -58.67 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.403 HD21 ' HG3' ' A' ' 796' ' ' LYS . 63.7 mt -50.03 -54.13 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.96 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -47.21 -38.38 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -62.23 -54.71 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.448 ' CD1' HD11 ' A' ' 847' ' ' ILE . 12.0 t80 -54.62 -54.36 42.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.75 ' CD1' HD13 ' A' ' 808' ' ' LEU . 4.8 mm -53.72 -54.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -46.36 -42.35 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.67 -47.16 82.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.448 HD11 ' CD1' ' A' ' 843' ' ' TYR . 65.9 mt -54.3 -64.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.779 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.56 -52.83 27.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -58.21 -44.78 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -57.6 -44.99 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.7 t -59.79 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.19 -52.22 59.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.0 t80 -51.85 -54.69 26.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -55.47 -46.58 76.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.4 -58.97 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.551 HD21 ' HB ' ' A' ' 821' ' ' VAL . 19.5 tp -52.68 -59.28 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.592 ' HB3' HD11 ' A' ' 808' ' ' LEU . 53.1 mt -43.27 -64.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 52.7 p -48.04 -42.59 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.59 -27.23 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.492 ' CE1' HG12 ' A' ' 821' ' ' VAL . 10.2 m-70 -81.24 38.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.0 t60 32.93 54.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 803' ' ' LEU . 30.2 mt -46.51 156.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 809' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.2 p-10 -134.01 176.14 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 25.1 p -70.8 -44.63 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -94.33 29.5 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 812' ' ' SER . . . . . 0.403 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 7.6 t -67.83 124.07 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -95.24 143.17 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.472 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 28.6 t-105 -64.92 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 814' ' ' TRP . 8.7 t -34.93 -43.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -70.1 -64.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.781 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.48 -26.71 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 821' ' ' VAL . 17.8 ttpp -76.42 -44.28 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 819' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 819' ' ' ASP . 0.3 OUTLIER -68.52 -22.53 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -89.59 -39.4 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 817' ' ' VAL . 31.8 m -76.99 -30.19 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -38.93 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.2 t -85.07 29.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.7 t70 -132.03 139.81 36.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.82 -31.27 20.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -61.5 -37.01 82.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 3.0 t80 -62.05 -23.49 66.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -77.92 -27.38 49.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -53.14 -42.54 66.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.54 123.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.07 -44.01 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.4 m -70.06 105.96 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 71.9 m -49.87 -48.0 51.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.8 m -43.92 -44.34 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 71.2 mmm -58.82 -42.56 89.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -59.94 -53.21 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -62.39 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -49.16 -61.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.2 mt -46.03 -60.84 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -48.25 -57.77 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -49.46 -48.92 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.11 -60.27 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.436 ' CE1' HD11 ' A' ' 847' ' ' ILE . 2.8 t80 -47.54 -54.6 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.5 mm -54.86 -47.68 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.43 -41.95 41.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -65.7 -46.99 76.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 843' ' ' TYR . 92.9 mt -54.11 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.822 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -54.35 -58.75 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.7 mt -45.35 -43.72 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -62.5 -60.13 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 16.7 t -41.88 -57.59 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.48 -42.93 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 803' ' ' LEU . 11.7 t80 -54.36 -60.34 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.79 -52.92 45.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.79 -52.03 6.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.468 HD13 ' NH2' ' A' ' 826' ' ' ARG . 58.6 tp -59.45 -59.74 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 799' ' ' PHE . 83.7 mt -44.76 -59.51 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -50.75 -41.92 57.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.36 -25.57 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.608 ' NE2' HG12 ' A' ' 821' ' ' VAL . 3.4 m80 -81.08 36.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.475 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.6 t-80 32.16 55.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 843' ' ' TYR . 95.3 mt -45.68 170.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -156.85 -179.97 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.5 p -69.24 -55.74 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.72 22.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 5.6 p -51.45 119.96 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -88.9 135.11 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 815' ' ' SER . 39.3 t-105 -67.55 -68.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.7 t -33.43 -41.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -63.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.875 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -29.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.539 ' HA ' HG22 ' A' ' 821' ' ' VAL . 22.8 ttpp -76.12 -41.76 49.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.45 -14.12 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -100.18 -35.61 9.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.8 m -80.92 -29.18 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -48.64 -36.01 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.5 t -54.07 -30.32 47.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.442 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.6 t70 -86.93 140.18 32.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.4 Cg_endo -69.79 -27.84 25.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.468 ' NH2' HD13 ' A' ' 802' ' ' LEU . 85.2 mtm180 -58.08 -37.21 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -60.87 -32.5 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -68.46 -22.88 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.26 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.28 96.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.21 -40.16 71.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 35.8 t -70.84 119.38 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.0 m -65.07 -44.35 89.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 20.3 m -48.41 -41.32 28.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 69.3 mmm -61.56 -41.19 97.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.92 -57.56 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 837' ' ' GLU . . . . . 0.428 ' O ' ' CD ' ' A' ' 841' ' ' LYS . 13.2 mt-10 -61.63 -48.27 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.21 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 62.0 mt -48.74 -59.53 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 840' ' ' PHE . . . . . 0.41 ' HD1' HD22 ' A' ' 803' ' ' LEU . 75.4 t80 -47.5 -55.91 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 837' ' ' GLU . 18.1 mtpp -53.83 -50.3 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -48.48 -57.02 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 808' ' ' LEU . 14.2 t80 -52.77 -56.56 14.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.434 HD11 HD22 ' A' ' 808' ' ' LEU . 21.8 mm -51.6 -46.19 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -52.17 -45.69 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.4 -43.96 96.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 843' ' ' TYR . 55.0 mt -59.72 -61.94 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.832 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.01 -54.36 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 26.5 mt -53.81 -53.88 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 796' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 839' ' ' LEU . 12.6 ttpp -51.14 -39.21 55.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 40.6 t -59.96 -53.77 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.45 -46.67 63.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -53.49 -54.25 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -54.28 -47.17 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.29 -57.04 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.71 HD21 ' HB ' ' A' ' 821' ' ' VAL . 35.0 tp -52.7 -61.43 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.908 ' HB3' HD11 ' A' ' 808' ' ' LEU . 48.2 mt -42.45 -64.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 33.4 p -47.32 -43.5 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -83.33 33.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.6 t-80 33.91 54.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 803' ' ' LEU . 31.1 mt -44.86 157.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.7 p-10 -136.17 166.8 22.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.9 p -60.35 -49.36 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -87.66 30.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 25.4 t -63.15 122.58 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -94.11 123.94 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.572 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 25.2 t-105 -50.59 -54.24 24.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.6 t -46.51 -38.98 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -74.96 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.453 HG11 ' CE1' ' A' ' 840' ' ' PHE . 0.6 OUTLIER -47.76 -31.19 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 18.0 ttpp -74.64 -49.35 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.86 -13.3 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -92.68 -36.23 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.71 ' HB ' HD21 ' A' ' 802' ' ' LEU . 34.4 m -85.84 -29.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -38.84 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 22.8 t -85.23 29.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.7 t70 -137.71 139.72 27.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.74 -32.08 19.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -61.37 -32.58 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.1 t80 -66.85 -23.08 65.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -73.82 -20.78 60.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.46 -51.83 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.35 113.69 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -82.14 -51.22 8.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 t -72.82 136.99 45.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 45.9 m -73.65 -41.71 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.1 m -48.48 -41.79 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 86.2 mmm -59.93 -45.62 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.572 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 84.1 mtm-85 -55.72 -50.81 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -63.55 -60.24 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -47.4 -61.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 796' ' ' LYS . 83.6 mt -48.31 -60.69 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 840' ' ' PHE . . . . . 0.453 ' CE1' HG11 ' A' ' 817' ' ' VAL . 66.7 t80 -44.6 -54.22 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.24 -45.62 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -52.96 -58.73 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.466 ' CD1' HD12 ' A' ' 808' ' ' LEU . 13.6 t80 -51.96 -59.83 3.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 40.3 mm -50.98 -43.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.25 -43.66 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -62.98 -47.58 82.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.0 mt -53.36 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.852 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.71 -52.19 60.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.682 HG23 ' HB1' ' A' ' 829' ' ' ALA . 40.2 mt -48.02 -42.81 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -62.19 -55.99 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 15.0 t -48.9 -55.18 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -51.2 -47.57 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.2 t80 -49.79 -56.89 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.41 -53.97 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.427 ' O ' ' ND2' ' A' ' 805' ' ' ASN . 37.2 mt-10 -40.59 -59.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.607 HD21 ' HB ' ' A' ' 821' ' ' VAL . 44.0 tp -54.71 -60.43 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 799' ' ' PHE . 93.9 mt -40.23 -55.4 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 28.0 p -55.26 -43.41 74.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 805' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 801' ' ' GLU . 2.2 m-80 -59.16 -24.26 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.57 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.9 m-70 -81.43 35.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 806' ' ' HIS . 4.8 m170 31.82 55.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 843' ' ' TYR . 76.0 mt -43.97 168.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -158.12 161.8 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 46.3 p -63.61 -14.82 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -118.8 27.29 8.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.1 t -74.78 124.39 26.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -92.14 152.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 23.6 t-105 -71.62 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 m -39.59 -40.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -72.84 -63.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -28.57 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.422 ' HA ' HG22 ' A' ' 821' ' ' VAL . 28.0 ttpt -75.52 -47.63 26.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -65.5 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -89.66 -40.31 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.607 ' HB ' HD21 ' A' ' 802' ' ' LEU . 29.2 m -78.81 -29.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -39.1 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.1 t -85.05 26.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.7 t70 -138.31 139.93 26.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.1 Cg_endo -69.75 -31.71 20.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -59.44 -38.26 80.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.41 ' CD2' ' CG2' ' A' ' 821' ' ' VAL . 8.2 t80 -60.14 -27.63 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -73.55 -29.43 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.682 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -43.01 -46.19 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.87 130.07 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -104.96 -44.14 4.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 29.5 t -72.48 114.07 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.4 m -52.47 -44.89 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 3.2 t -47.68 -46.53 29.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.71 -38.2 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.49 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 90.2 mtt180 -66.06 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.54 -47.8 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.08 -64.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.9 mt -49.49 -57.52 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -49.78 -59.97 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -49.74 -50.51 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -45.81 -55.37 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 808' ' ' LEU . 12.6 t80 -52.98 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.7 mm -49.13 -54.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -44.3 -48.03 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.61 -48.17 80.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 843' ' ' TYR . 66.4 mt -54.69 -65.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.776 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.388 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -53.88 -56.98 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.549 HG23 ' HB1' ' A' ' 829' ' ' ALA . 17.4 mt -46.58 -42.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -60.82 -54.0 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 68.2 m -52.29 -55.31 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.03 -51.38 31.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 803' ' ' LEU . 19.2 t80 -49.76 -56.33 10.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -50.14 -50.43 48.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.59 -59.19 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.42 HD13 HH21 ' A' ' 826' ' ' ARG . 41.8 tp -49.5 -65.02 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.914 ' HB3' HD11 ' A' ' 808' ' ' LEU . 37.3 mt -40.88 -64.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.3 t -47.21 -44.2 22.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -57.88 -28.73 64.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.27 34.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 56.4 m-70 33.25 55.0 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.914 HD11 ' HB3' ' A' ' 803' ' ' LEU . 42.5 mt -44.25 159.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -137.33 164.22 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 71.2 m -62.69 -38.38 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.61 29.93 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 10.1 t -69.28 130.65 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.31 139.19 34.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.453 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.3 t-105 -63.02 -55.68 23.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -44.17 -40.69 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -73.1 -63.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.6 OUTLIER -47.65 -29.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 821' ' ' VAL . 28.8 ttpt -75.07 -48.33 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -22.33 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -85.99 -41.94 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 817' ' ' VAL . 26.8 m -77.17 -29.94 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.8 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 821' ' ' VAL . 50.3 m -84.87 26.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.6 t70 -135.96 139.86 31.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.75 -28.17 25.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 826' ' ' ARG . . . . . 0.42 HH21 HD13 ' A' ' 802' ' ' LEU . 52.4 mtm-85 -62.12 -35.48 78.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -64.2 -24.52 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -78.39 -21.01 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.549 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -50.63 -54.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 3.9 t -67.83 106.66 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -66.57 -57.11 7.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 127.96 34.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 21.9 m -66.1 -42.19 89.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.0 m -47.83 -45.2 29.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 835' ' ' MET . . . . . 0.417 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 79.7 mmm -52.83 -57.27 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.443 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 65.1 mtm180 -51.47 -60.95 2.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -45.91 -44.24 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.35 -65.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 81.5 mt -41.39 -51.62 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.81 -51.23 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.25 -41.02 83.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -56.77 -61.54 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -48.18 -53.63 16.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 808' ' ' LEU . 10.2 mm -56.28 -49.83 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -47.68 -39.66 17.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -67.74 -49.42 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 80.8 mt -51.2 -66.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.794 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.943 0.401 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -46.53 -55.08 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.42 ' CG2' HG22 ' A' ' 830' ' ' VAL . 39.1 mt -55.72 -48.7 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -44.43 81.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.9 t -58.91 -45.97 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.63 -47.84 81.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.752 ' CE2' HD11 ' A' ' 803' ' ' LEU . 27.7 t80 -52.17 -55.73 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 800' ' ' PHE . . . . . 0.41 ' CZ ' HD22 ' A' ' 839' ' ' LEU . 10.1 m-85 -54.25 -50.86 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -44.35 -53.82 6.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.413 HD21 ' HB ' ' A' ' 821' ' ' VAL . 20.7 tp -57.06 -64.17 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 799' ' ' PHE . 42.2 mt -42.46 -60.21 1.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 93.4 p -52.35 -42.41 63.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 805' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 62.7 m-20 -58.85 -25.7 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.6 m-70 -82.14 35.16 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.3 OUTLIER 33.29 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.493 HD12 ' CE1' ' A' ' 843' ' ' TYR . 96.7 mt -44.45 156.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.83 167.55 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 22.7 p -69.76 -10.24 57.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -118.11 29.83 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 7.0 m -77.01 127.1 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -102.89 123.44 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.525 ' CE2' ' HD3' ' A' ' 818' ' ' LYS . 26.6 t-105 -45.74 -68.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 814' ' ' TRP . 61.7 p -34.8 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -70.61 -63.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.4 OUTLIER -49.08 -27.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 19.6 ttpt -73.0 -51.57 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -66.1 -14.92 62.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -91.14 -41.51 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 817' ' ' VAL . 33.8 m -77.52 -29.76 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -38.77 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.8 m -83.54 24.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.8 t70 -133.05 139.97 36.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.71 -31.8 20.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -61.05 -37.92 84.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -62.43 -25.01 67.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -76.66 -26.7 55.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.06 -54.15 17.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.42 HG22 ' CG2' ' A' ' 795' ' ' ILE . 48.2 t -70.89 107.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.9 -43.06 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 24.6 m -71.16 118.92 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 31.1 t -61.05 -49.49 77.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -44.13 -41.74 5.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 81.5 mmm -59.23 -49.19 78.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -60.5 -56.3 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.72 -54.43 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.95 -65.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 800' ' ' PHE . 79.1 mt -44.08 -54.85 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.18 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -46.68 -44.11 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.07 -53.55 51.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.493 ' CE1' HD12 ' A' ' 808' ' ' LEU . 5.7 t80 -52.54 -53.37 47.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.0 mm -57.45 -47.47 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -49.83 -40.42 41.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.25 -53.14 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 77.6 mt -47.2 -64.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.836 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.939 0.4 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -59.52 -67.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.4 ' CG2' HG22 ' A' ' 830' ' ' VAL . 26.9 mt -43.44 -49.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -52.12 -45.1 64.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.5 m -63.86 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -46.94 -47.86 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.586 ' CE2' HD11 ' A' ' 803' ' ' LEU . 19.5 t80 -52.53 -57.67 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 800' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 839' ' ' LEU . 19.1 m-85 -54.38 -46.05 72.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -47.18 -56.48 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 14.3 tp -57.46 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.586 HD11 ' CE2' ' A' ' 799' ' ' PHE . 85.8 mt -48.85 -62.52 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 804' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 15.2 t -48.62 -40.05 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -62.57 -28.26 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.566 ' NE2' HG12 ' A' ' 821' ' ' VAL . 2.8 m80 -76.75 44.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.508 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.6 OUTLIER 29.55 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 843' ' ' TYR . 78.6 mt -49.43 139.0 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -125.4 179.09 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 68.6 p -70.86 -43.06 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -95.35 29.18 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.4 t -63.9 122.64 16.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -94.86 137.83 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 44.6 t-105 -62.83 -66.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 814' ' ' TRP . 21.4 m -33.72 -40.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -70.7 -62.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.79 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -50.12 -28.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.505 ' HA ' HG22 ' A' ' 821' ' ' VAL . 25.6 tttp -74.43 -44.51 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.19 -16.87 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -94.77 -38.71 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 817' ' ' VAL . 30.9 m -77.23 -33.24 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -39.56 -25.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.5 t -84.63 24.73 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.1 t70 -133.7 139.9 35.05 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -30.79 21.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -60.77 -36.85 79.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.4 -27.76 67.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -74.48 -27.54 60.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.36 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.4 HG22 ' CG2' ' A' ' 795' ' ' ILE . 6.3 t -73.37 131.63 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -96.46 -54.79 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 75.5 m -70.72 110.58 5.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 97.2 p -51.85 -39.96 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.0 m -48.43 -38.53 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.0 mmm -64.72 -48.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 799' ' ' PHE . 87.8 mtt180 -52.09 -50.52 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.31 -56.72 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -49.41 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.585 HD22 ' CZ ' ' A' ' 800' ' ' PHE . 60.0 mt -46.91 -50.88 18.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.41 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -45.72 -43.32 12.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -54.93 -57.53 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.617 ' CE1' HD12 ' A' ' 808' ' ' LEU . 11.5 t80 -50.81 -55.44 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 18.7 mm -51.57 -47.25 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.33 -42.7 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -63.36 -46.91 84.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 84.6 mt -53.82 -65.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.958 0.408 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -44.43 -58.4 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.78 -51.42 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -49.16 -43.55 42.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 8.2 t -59.51 -56.81 17.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 798' ' ' ASP . . . . . 0.553 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -52.87 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.553 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 10.9 t80 -42.51 -61.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -50.35 -55.98 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 29.8 mt-10 -40.57 -58.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.726 HD21 ' HB ' ' A' ' 821' ' ' VAL . 58.2 tp -51.96 -67.19 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 808' ' ' LEU . 59.3 mt -39.18 -60.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 76.6 p -52.76 -40.07 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 805' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.8 m-20 -62.0 -24.3 66.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 807' ' ' HIS . 19.8 m-70 -83.85 31.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 806' ' ' HIS . 85.4 m-70 35.31 54.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 843' ' ' TYR . 89.3 mt -43.72 166.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -153.15 162.43 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 86.5 p -59.03 -17.01 21.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -110.12 26.22 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 812' ' ' SER . . . . . 0.448 ' OG ' HD12 ' A' ' 844' ' ' ILE . 6.8 p -65.68 122.16 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -102.11 114.1 27.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.415 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 30.0 t-105 -42.92 -54.28 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -47.02 -39.48 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -74.69 -63.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.7 OUTLIER -47.61 -29.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.495 ' HA ' HG22 ' A' ' 821' ' ' VAL . 5.4 ttpm? -76.38 -48.54 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -66.84 -16.1 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -93.58 -40.52 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.726 ' HB ' HD21 ' A' ' 802' ' ' LEU . 31.9 m -77.37 -29.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -38.71 -26.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 4.5 t -83.09 24.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 10.7 t70 -137.25 140.63 31.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.453 ' HA ' ' CE ' ' A' ' 828' ' ' LYS . 53.8 Cg_endo -69.76 -32.99 17.51 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -52.55 -41.96 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.2 t80 -62.52 -36.76 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 828' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 825' ' ' PRO . 8.1 mtmt -71.52 -19.68 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.606 HG11 ' HG3' ' A' ' 836' ' ' ARG . 42.2 t -63.16 122.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -93.93 -52.78 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 51.4 m -71.97 120.08 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 86.7 p -61.6 -41.5 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 26.4 t -48.43 -42.85 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 80.0 mmm -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.606 ' HG3' HG11 ' A' ' 830' ' ' VAL . 46.6 mtm180 -55.77 -61.39 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.94 -55.66 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.59 -61.09 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.1 -52.48 34.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.95 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -50.74 -39.17 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -56.52 -55.83 28.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.517 ' CD1' HD12 ' A' ' 808' ' ' LEU . 13.5 t80 -55.9 -54.63 42.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.448 HD12 ' OG ' ' A' ' 812' ' ' SER . 27.9 mm -54.06 -45.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.59 -44.66 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.72 -64.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.782 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.933 0.397 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -54.5 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.425 HG12 ' HB1' ' A' ' 829' ' ' ALA . 18.2 mt -44.27 -45.11 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -60.35 -57.25 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.3 t -53.59 -58.35 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 798' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 798' ' ' ASP . 0.7 OUTLIER -48.52 -60.76 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 803' ' ' LEU . 9.6 t80 -38.38 -54.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.17 -51.8 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.22 -65.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 44.4 tp -45.86 -66.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 799' ' ' PHE . 77.0 mt -39.64 -61.34 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 804' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 13.6 t -51.82 -40.11 59.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -59.95 -27.15 66.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.488 ' O ' ' C ' ' A' ' 807' ' ' HIS . 3.1 m80 -78.76 43.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.488 ' C ' ' O ' ' A' ' 806' ' ' HIS . 93.8 m-70 31.06 55.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 804' ' ' SER . 86.4 mt -50.64 155.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -162.07 176.78 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 37.5 p -59.12 -39.27 81.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -84.65 30.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 69.2 p -76.55 120.48 21.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -106.82 136.62 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.2 t-105 -64.42 -57.77 8.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.6 m -42.24 -44.03 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -71.75 -63.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.782 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.61 -26.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.581 ' HA ' HG22 ' A' ' 821' ' ' VAL . 26.9 tttp -81.11 -40.01 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.98 -18.6 61.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.32 -34.7 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.2 m -79.55 -31.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -44.76 -22.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.2 t -86.1 25.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.7 t70 -135.02 139.82 33.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.522 0.677 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.2 Cg_endo -69.82 -31.84 19.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -63.53 -30.56 71.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.94 -24.75 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.55 -16.56 55.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.425 ' HB1' HG12 ' A' ' 795' ' ' ILE . . . -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 9.6 t -85.76 116.89 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -86.46 -51.53 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.7 t -71.19 115.06 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 39.9 t -56.6 -35.43 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.5 m -54.53 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' MET . . . . . 0.439 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 83.7 mmm -66.62 -46.22 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.505 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 78.2 mtt180 -55.55 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.21 -47.8 75.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.36 -65.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 80.6 mt -46.62 -52.36 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -52.08 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -50.52 -44.87 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -50.51 -61.21 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.501 ' CE1' HD11 ' A' ' 847' ' ' ILE . 19.5 t80 -49.4 -60.91 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.95 -50.01 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.06 -50.17 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -55.23 -41.71 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 843' ' ' TYR . 76.1 mt -62.02 -64.06 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.796 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.918 0.389 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -63.55 -55.21 25.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.495 HG22 HG22 ' A' ' 830' ' ' VAL . 58.8 mt -53.01 -52.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -49.45 77.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 7.7 t -55.23 -58.91 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -48.81 -47.26 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 803' ' ' LEU . 22.2 t80 -52.45 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -47.86 -47.29 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -48.04 -61.19 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 47.3 tp -49.89 -62.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.934 ' HB3' HD11 ' A' ' 808' ' ' LEU . 66.9 mt -39.47 -63.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 10.5 p -49.68 -40.19 39.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.09 -26.9 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.7 m-70 -83.69 31.41 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.8 m-70 33.89 54.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 803' ' ' LEU . 72.8 mt -47.28 157.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -143.3 170.56 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.3 p -65.4 -24.62 67.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -101.35 30.18 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 26.3 p -63.15 127.4 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 813' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 816' ' ' LYS . 1.1 tpm_? -104.62 100.31 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 813' ' ' ARG . 27.0 t-105 -36.5 -47.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 57.9 m -52.97 -42.69 65.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 816' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 813' ' ' ARG . 14.4 mmtp -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.79 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.32 -37.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.406 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 21.9 ttpp -66.88 -47.82 70.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.42 -15.81 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 -36.93 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 817' ' ' VAL . 30.1 m -82.32 -29.84 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -41.39 -25.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 821' ' ' VAL . 70.6 m -83.96 20.92 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.6 t70 -128.97 139.91 37.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.93 21.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -59.67 -35.91 75.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.96 -27.9 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -77.66 -23.33 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.19 55.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 832' ' ' SER . 43.5 t -73.1 92.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.22 -48.78 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 832' ' ' SER . . . . . 0.569 ' O ' HG12 ' A' ' 830' ' ' VAL . 1.1 t -72.24 155.45 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 13.6 m -93.64 -42.07 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 12.4 t -48.53 -42.84 34.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 835' ' ' MET . . . . . 0.449 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 78.2 mmm -57.47 -47.8 80.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -54.9 -52.35 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.92 -62.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -46.45 -64.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 74.7 mt -47.39 -43.91 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.5 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -51.86 -48.79 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.48 -55.45 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 847' ' ' ILE . 14.9 t80 -53.17 -62.33 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 844' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 31.7 mm -48.21 -46.1 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.89 -41.07 64.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -64.85 -44.39 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.2 mt -57.31 -65.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.796 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -52.67 -59.93 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.419 HG23 ' HB1' ' A' ' 829' ' ' ALA . 23.4 mt -49.62 -40.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -62.52 -49.08 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 5.8 m -55.08 -55.0 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.29 -43.22 67.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 803' ' ' LEU . 16.0 t80 -52.74 -60.25 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -51.03 -54.33 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 55.1 mt-10 -43.31 -54.4 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.62 HD21 ' HB ' ' A' ' 821' ' ' VAL . 24.4 tp -55.07 -62.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.455 HD11 ' CE2' ' A' ' 799' ' ' PHE . 48.0 mt -41.16 -62.68 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.977 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 26.4 t -49.26 -39.84 32.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 805' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 33.8 m-20 -63.09 -25.62 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.714 ' CE1' HG12 ' A' ' 821' ' ' VAL . 6.5 m80 -81.15 38.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.2 t-160 32.11 54.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 843' ' ' TYR . 75.0 mt -47.47 165.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 809' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 810' ' ' SER . 0.7 OUTLIER -157.56 165.72 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 810' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 809' ' ' ASP . 81.9 p -59.72 -42.54 93.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -89.97 30.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 35.0 t -72.32 125.4 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 813' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 813' ' ' ARG . 5.4 mmm180 -98.21 132.59 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.422 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.2 t-105 -56.65 -61.27 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.5 m -40.19 -39.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -73.42 -64.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.652 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.74 -28.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' ' 821' ' ' VAL . 26.7 ttpt -76.91 -46.04 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -16.71 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -92.81 -31.68 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.714 HG12 ' CE1' ' A' ' 806' ' ' HIS . 34.2 m -89.59 -29.13 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 822' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 823' ' ' SER . 20.9 pt-20 -46.16 -45.34 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 21.9 t -48.18 -30.36 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -86.3 140.19 34.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.6 Cg_endo -69.7 -28.81 25.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -56.68 -37.52 70.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.01 -34.48 74.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.26 -26.3 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.419 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -45.11 -58.36 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.442 ' O ' ' NH1' ' A' ' 836' ' ' ARG . 59.9 t -66.24 99.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -75.37 -37.01 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 56.1 m -74.2 118.74 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 37.9 t -62.69 -52.25 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.6 m -42.12 -42.37 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.4 mmm -63.82 -42.35 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 830' ' ' VAL . 82.6 mtm-85 -56.08 -55.68 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.7 -56.49 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.09 -61.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.3 mt -48.52 -58.32 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -50.9 -62.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -47.77 -45.42 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -52.6 -56.94 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.49 ' CE1' HD12 ' A' ' 808' ' ' LEU . 17.5 t80 -51.34 -60.34 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.0 mm -50.56 -50.49 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -47.11 -43.76 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -62.98 -48.89 76.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.7 mt -51.92 -66.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.841 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.918 0.389 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -51.23 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -54.14 -58.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -44.42 -50.79 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.4 t -52.72 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 798' ' ' ASP . . . . . 0.561 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -41.18 -55.69 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.561 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 20.2 t80 -41.52 -59.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.59 -55.47 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -41.13 -59.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 57.3 tp -50.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.549 ' HB3' HD11 ' A' ' 808' ' ' LEU . 33.8 mt -41.6 -64.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -47.43 -44.49 24.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -57.08 -28.27 62.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.8 m-70 -81.09 37.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.4 t-80 31.93 55.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 803' ' ' LEU . 93.3 mt -46.63 153.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 809' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.6 OUTLIER -134.7 172.41 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 2.6 t -68.35 -28.25 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -106.03 29.19 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 812' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 10.5 t -65.4 125.13 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -93.91 142.36 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.485 ' CZ2' ' HB3' ' A' ' 836' ' ' ARG . 28.1 t-105 -69.71 -46.92 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t -52.66 -43.61 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -71.29 -62.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -46.32 -38.52 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 818' ' ' LYS . . . . . 0.431 ' HA ' HG22 ' A' ' 821' ' ' VAL . 18.7 tttt -69.37 -44.06 72.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.73 -12.63 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -96.57 -35.57 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 817' ' ' VAL . 18.8 m -84.24 -30.13 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -41.39 -24.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 821' ' ' VAL . 64.2 m -85.07 22.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.3 t70 -133.37 139.87 35.37 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.858 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.8 Cg_endo -69.75 -30.94 21.53 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -60.4 -34.93 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -63.29 -25.96 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -74.71 -26.12 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -45.66 -42.38 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.49 135.06 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.53 -54.17 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 t -70.81 131.6 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 9.2 t -66.44 -39.72 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 97.6 p -51.11 -39.2 55.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.5 mmm -62.94 -49.8 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.485 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 20.8 mtt85 -53.45 -49.98 66.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.41 -52.56 45.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.1 -64.71 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.3 mt -44.77 -50.08 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -58.84 -62.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -49.34 -36.62 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -58.27 -57.71 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -52.43 -57.14 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.9 mm -51.7 -51.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.28 -45.35 23.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -60.45 -47.2 87.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 75.4 mt -54.42 -64.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -46.09 -51.41 13.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.528 HG12 ' HB1' ' A' ' 829' ' ' ALA . 50.8 mt -56.23 -48.77 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -54.5 -54.77 36.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.2 t -56.83 -56.58 19.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.75 -45.08 63.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 799' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.4 t80 -51.85 -53.51 39.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -53.18 -52.99 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -45.16 -51.78 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 821' ' ' VAL . 53.5 tp -55.12 -64.04 0.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.623 ' HB3' HD11 ' A' ' 808' ' ' LEU . 36.2 mt -43.48 -63.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 12.2 t -46.68 -48.05 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -54.11 -29.73 45.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.476 ' O ' ' C ' ' A' ' 807' ' ' HIS . 45.2 m-70 -80.81 38.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 807' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.6 m80 31.01 54.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 803' ' ' LEU . 56.2 mt -43.54 164.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 809' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.8 OUTLIER -146.34 172.25 13.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.3 p -67.82 -46.28 72.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -90.86 29.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' SER . . . . . 0.47 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.7 t -66.75 120.21 13.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -88.25 134.38 33.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 814' ' ' TRP . . . . . 0.44 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 23.7 t-105 -59.57 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 67.0 m -43.33 -44.45 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -70.25 -64.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 817' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.84 -27.67 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.32 -48.51 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.82 -14.43 63.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -92.1 -39.56 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 821' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 817' ' ' VAL . 12.5 m -83.29 -28.93 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 822' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 823' ' ' SER . 6.3 pt-20 -48.37 -35.14 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 823' ' ' SER . . . . . 0.486 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 1.4 t -53.2 -30.51 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.447 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -87.85 140.34 31.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 825' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.8 -19.28 36.16 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -66.02 -32.5 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 827' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 821' ' ' VAL . 2.0 t80 -70.61 -15.15 62.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.17 -10.46 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' ' 795' ' ' ILE . . . -65.89 -40.46 91.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 795' ' ' ILE . 92.7 t -77.32 102.14 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -76.67 -40.3 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 832' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 835' ' ' MET . 70.9 m -72.69 117.54 14.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 78.6 p -61.13 -40.8 95.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 54.3 p -55.91 -35.07 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 835' ' ' MET . . . . . 0.474 ' CG ' ' HB2' ' A' ' 832' ' ' SER . 89.4 mmm -62.69 -44.65 95.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 836' ' ' ARG . . . . . 0.412 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.8 mtm180 -63.43 -55.97 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.64 -50.25 72.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.79 -59.51 5.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 73.1 mt -50.32 -56.99 8.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -54.91 -59.79 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -48.75 -41.81 33.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.78 -53.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 843' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' A' ' 847' ' ' ILE . 10.3 t80 -54.82 -56.56 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.21 -49.91 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.13 -45.33 32.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.53 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 847' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 843' ' ' TYR . 81.6 mt -56.55 -64.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 32.9 t -106.52 -45.77 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 15.3 m -59.11 121.36 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -111.09 154.36 16.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.8 p -172.9 134.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 783' ' ' GLY . 27.4 t -77.55 156.54 30.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 783' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 782' ' ' SER . . . 36.06 -145.86 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -148.78 126.67 11.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.06 129.35 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -104.64 74.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -102.64 162.46 12.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 35.8 m -72.2 -47.26 51.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' LYS . . . . . 0.433 ' N ' ' HE2' ' A' ' 789' ' ' LYS . 0.2 OUTLIER -39.64 -48.03 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 790' ' ' THR . 7.4 t -138.73 114.28 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -116.78 41.88 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' GLY . . . . . 0.422 ' HA2' HD12 ' A' ' 795' ' ' ILE . . . -71.24 -39.18 62.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.56 -64.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.933 0.397 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 6.4 ptmm? -53.56 -42.15 67.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.439 ' N ' ' HG3' ' A' ' 794' ' ' LYS . 98.8 mt -58.83 -39.42 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -64.2 -48.87 74.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.9 t -55.47 -49.3 72.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -56.34 -45.42 80.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -52.58 -59.41 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -52.12 -53.68 39.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 16.1 mt-10 -42.69 -56.76 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.442 HD13 HH21 ' A' ' 826' ' ' ARG . 35.5 tp -53.35 -66.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.695 ' HB3' HD11 ' A' ' 808' ' ' LEU . 25.6 mt -41.06 -60.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 50.4 p -52.19 -43.5 64.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.1 m-20 -57.11 -27.14 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.59 30.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.9 m170 33.81 54.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 803' ' ' LEU . 51.6 mt -42.75 148.6 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.05 153.63 51.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.1 p -47.67 -38.27 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.74 26.92 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 m -65.57 138.69 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.27 120.92 32.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.404 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 27.8 t-105 -44.28 -51.07 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.0 p -50.29 -40.37 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -73.62 -61.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.911 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.77 -33.35 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.523 ' HA ' HG22 ' A' ' 821' ' ' VAL . 22.1 ttpp -72.78 -45.08 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.11 -14.64 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -99.38 -40.11 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 817' ' ' VAL . 22.6 m -76.9 -29.59 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.94 -43.18 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 15.7 t -54.17 -30.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -83.96 140.03 40.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.623 0.725 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.9 Cg_endo -69.72 -24.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.442 HH21 HD13 ' A' ' 802' ' ' LEU . 85.2 mtm-85 -59.22 -40.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.37 -27.21 68.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -72.81 -23.19 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.19 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.09 116.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.2 -41.46 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.6 t -74.08 123.45 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.9 m -66.08 -48.65 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.4 m -43.36 -44.3 5.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' MET . . . . . 0.42 ' O ' ' CG ' ' A' ' 839' ' ' LEU . 70.3 mmm -60.17 -38.19 82.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.404 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.0 mtt180 -64.48 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -53.96 -50.0 67.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -58.12 -59.67 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.42 ' CG ' ' O ' ' A' ' 835' ' ' MET . 54.5 mt -53.11 -60.28 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 840' ' ' PHE . . . . . 0.4 ' CE1' HG11 ' A' ' 817' ' ' VAL . 70.4 t80 -50.72 -52.39 40.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -56.51 -42.29 78.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -54.87 -58.94 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.458 ' CE1' HD11 ' A' ' 847' ' ' ILE . 6.4 t80 -52.46 -57.19 10.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.614 ' CD1' HD13 ' A' ' 808' ' ' LEU . 32.6 mm -52.68 -44.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.184 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.65 -44.55 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -62.41 -46.28 89.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 843' ' ' TYR . 64.5 mt -55.56 -64.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -41.51 -53.58 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -70.17 161.73 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -39.16 111.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.3 143.11 57.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.34 92.59 0.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.2 t -113.39 112.89 24.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 6.1 t -159.55 140.78 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 96.66 -158.05 21.38 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.74 3.27 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.666 2.244 . . . . 0.0 112.373 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 23.2 t -41.61 -41.27 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 54.8 m -91.37 135.77 33.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 79.6 p -107.79 150.0 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.377 . . . . 0.0 110.893 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 80.8 p -79.26 -52.16 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -171.52 -82.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.557 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 79.7 p -129.4 87.1 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 20.3 m -80.17 161.17 25.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 56.6 106.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -94.82 -56.72 2.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -92.59 163.58 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 787' ' ' ASP . 0.6 OUTLIER -87.43 21.57 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 787' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 786' ' ' GLU . 10.0 t0 -36.31 141.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 789' ' ' LYS . 33.4 m -113.74 -43.73 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 789' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 788' ' ' SER . 5.6 mmmm -35.2 -47.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.18 114.73 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.3 ptt-85 -112.76 43.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' A' ' 795' ' ' ILE . . . -38.5 -61.08 1.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 793' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 792' ' ' GLY . 11.6 tp10 -38.48 -58.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -48.45 -60.28 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.494 HD12 ' HA2' ' A' ' 792' ' ' GLY . 18.9 mt -44.44 -52.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -54.36 -49.38 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.8 t -51.87 -54.94 23.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -57.02 -40.9 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 803' ' ' LEU . 16.7 t80 -56.44 -56.66 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.2 -45.68 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.95 -55.08 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.87 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' ' 808' ' ' LEU . 24.9 mt -39.99 -60.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 11.2 t -52.79 -44.91 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -54.77 -26.76 36.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 807' ' ' HIS . 15.4 m-70 -82.86 33.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.2 p80 33.41 54.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.659 HD13 ' CD1' ' A' ' 844' ' ' ILE . 33.4 mt -43.86 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 812' ' ' SER . 1.0 OUTLIER -147.08 168.88 20.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 56.2 p -64.17 -36.4 83.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -87.7 18.1 4.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.0 m -61.91 130.78 47.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -113.15 149.25 33.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 815' ' ' SER . 29.8 t-105 -66.34 -69.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 814' ' ' TRP . 50.0 m -35.07 -39.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.41 -64.1 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.6 OUTLIER -47.39 -28.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' A' ' 821' ' ' VAL . 27.8 tttp -76.0 -48.32 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.53 -16.69 64.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -92.8 -41.45 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 817' ' ' VAL . 35.0 m -77.66 -31.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -39.1 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 821' ' ' VAL . 2.2 t -84.67 27.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -136.07 139.86 31.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.78 -31.48 20.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -58.78 -35.37 72.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 836' ' ' ARG . 14.2 t80 -64.02 -30.86 71.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -51.79 -49.13 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.53 129.99 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -88.03 -50.08 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 4.4 m -74.13 148.53 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.5 m -82.83 -48.29 10.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 55.2 m -45.11 -43.25 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.26 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.521 ' HD3' ' CE2' ' A' ' 827' ' ' TYR . 5.4 mtt85 -55.38 -56.84 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.94 -54.8 40.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -51.58 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.6 -55.31 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.1 -60.28 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -47.28 -45.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -51.23 -59.18 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.415 ' CD1' HD12 ' A' ' 808' ' ' LEU . 9.3 t80 -50.88 -55.69 15.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.659 ' CD1' HD13 ' A' ' 808' ' ' LEU . 9.6 mm -51.41 -50.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.08 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -48.94 -45.38 41.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.45 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -52.85 -45.07 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -52.4 -60.66 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -89.86 86.94 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.5 148.6 23.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.15 161.95 13.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 36.8 p -92.43 73.44 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 5.3 m -125.39 155.3 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 91.63 175.42 43.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -31.9 19.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 4.4 m -80.71 144.42 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 4.4 m -107.34 117.22 33.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.4 t -69.9 160.58 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 73.0 m -83.12 156.26 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 123.01 126.66 3.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 67.6 m -68.15 155.03 40.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 2.1 t -80.3 146.97 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 155.03 158.18 8.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -134.32 -45.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.406 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.65 90.76 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 787' ' ' ASP . 72.1 mt-10 -98.76 167.95 10.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 787' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 786' ' ' GLU . 3.2 p30 -35.95 144.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 15.9 m -116.16 91.56 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.39 -49.69 9.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 55.2 m -89.53 -55.42 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -39.89 -55.3 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -44.01 -45.73 7.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -49.13 -55.74 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -48.44 -58.1 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.822 HG23 ' HB1' ' A' ' 829' ' ' ALA . 77.4 mt -47.1 -46.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.48 -60.09 4.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.5 t -43.47 -55.41 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 -53.3 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 803' ' ' LEU . 17.7 t80 -49.0 -57.79 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -52.41 -50.84 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.34 -56.98 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.552 HD21 ' HB ' ' A' ' 821' ' ' VAL . 40.2 tp -53.21 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.832 ' HB3' HD11 ' A' ' 808' ' ' LEU . 39.4 mt -43.35 -63.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 92.8 p -48.67 -46.41 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -56.6 -26.84 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -84.11 30.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.9 m170 34.46 55.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 803' ' ' LEU . 68.1 mt -43.24 164.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.73 175.69 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 13.8 t -71.52 -40.81 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -85.78 30.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.8 p -65.58 124.18 21.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 813' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 814' ' ' TRP . 2.3 mmp_? -103.32 106.09 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.45 ' C ' ' O ' ' A' ' 813' ' ' ARG . 29.5 t-105 -34.3 -61.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.5 p -40.62 -41.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 813' ' ' ARG . 12.9 mmtm -72.54 -63.95 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.4 OUTLIER -47.79 -26.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.43 ' HA ' HG22 ' A' ' 821' ' ' VAL . 23.8 tttt -79.8 -41.18 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 819' ' ' ASP . . . . . 0.415 ' C ' ' HG2' ' A' ' 822' ' ' GLU . 4.3 t70 -71.42 -17.23 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -91.79 -39.95 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 817' ' ' VAL . 35.5 m -80.1 -35.32 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 819' ' ' ASP . 10.4 pt-20 -39.29 -27.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 821' ' ' VAL . 1.3 t -84.69 25.98 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.9 t70 -136.52 139.95 30.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.78 21.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -59.97 -35.29 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 2.1 t80 -62.5 -29.21 70.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -71.06 -26.15 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.822 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -43.2 -44.62 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 836' ' ' ARG . 60.1 t -78.18 115.16 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.5 -47.18 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 72.4 m -72.01 110.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 7.2 m -46.24 -41.87 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 835' ' ' MET . 15.8 m -50.96 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 835' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 834' ' ' SER . 96.9 mmm -34.41 -48.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.524 ' HG3' HG11 ' A' ' 830' ' ' VAL . 49.8 mtm180 -59.13 -56.65 19.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.43 -54.54 45.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.57 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.22 -57.87 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -49.24 -55.64 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -53.59 -47.03 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -51.44 -64.92 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.431 ' CE1' HD11 ' A' ' 847' ' ' ILE . 4.5 t80 -42.73 -58.42 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 19.3 mm -52.6 -53.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -43.06 -44.32 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -65.06 -47.0 78.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.431 HD11 ' CE1' ' A' ' 843' ' ' TYR . 85.2 mt -52.68 -65.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 848' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 849' ' ' LYS . . . -43.23 -51.9 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 849' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 848' ' ' ALA . 28.2 ttmt -35.61 -58.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -112.23 124.28 52.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 852' ' ' ASP . 14.6 mt -112.07 -61.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 852' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 851' ' ' LEU . 7.2 m-20 -35.6 130.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 43.6 t -82.11 89.25 6.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 47.1 m -90.13 123.38 33.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 116.66 151.6 9.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.449 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 87.75 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 13.7 m -63.43 95.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 81.5 p -56.14 166.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 778' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 780' ' ' GLY . 6.4 t -94.05 -57.02 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 21.2 p 40.04 29.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 780' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 778' ' ' SER . . . -88.79 -108.83 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 83.6 p -55.83 167.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 96.2 p -172.29 140.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 61.83 143.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.443 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -134.37 123.15 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -127.57 -47.46 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -55.84 114.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.48 159.48 15.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 65.8 p -109.82 79.46 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -83.75 -64.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 89.5 m -98.64 -54.64 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 795' ' ' ILE . 24.9 ttm180 -51.19 -28.44 11.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -58.54 -9.4 6.46 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -62.19 -65.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 19.6 ptmt -55.45 -52.67 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.658 ' CG2' HG22 ' A' ' 830' ' ' VAL . 4.3 mp -46.59 -51.83 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -47.38 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.5 t -53.13 -56.46 16.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 798' ' ' ASP . . . . . 0.565 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -58.2 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.565 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 12.1 t80 -39.64 -49.61 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -62.69 -46.62 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 0.1 OUTLIER -50.18 -47.68 54.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.588 HD21 ' HB ' ' A' ' 821' ' ' VAL . 16.7 tp -61.19 -60.69 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.82 ' HB3' HD11 ' A' ' 808' ' ' LEU . 35.0 mt -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 804' ' ' SER . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 843' ' ' TYR . 95.5 p -51.55 -32.18 27.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 805' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 12.7 m-20 -75.22 -22.61 57.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.438 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.9 m170 -84.21 32.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 806' ' ' HIS . 1.6 t-80 34.59 54.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 803' ' ' LEU . 25.5 mt -48.75 168.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 809' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 810' ' ' SER . 0.9 OUTLIER -151.92 160.8 43.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 810' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 89.6 p -55.69 -42.11 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -88.36 30.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 32.4 m -83.78 125.36 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -98.58 149.07 23.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.531 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 40.5 t-105 -63.39 -69.11 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.3 t -33.78 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 814' ' ' TRP . 34.7 mmtt -74.34 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 821' ' ' VAL . 1.0 OUTLIER -53.86 -43.73 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.55 ' HA ' HG22 ' A' ' 821' ' ' VAL . 3.4 ptmm? -68.42 -36.05 78.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -80.79 -32.27 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 817' ' ' VAL . 34.1 m -82.52 -29.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 821' ' ' VAL . 8.5 pt-20 -36.38 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 27.6 m -84.19 30.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.2 t70 -140.09 139.99 22.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.75 -26.38 27.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -64.11 -31.47 72.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.86 -22.53 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -79.29 -16.36 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.62 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.658 HG22 ' CG2' ' A' ' 795' ' ' ILE . 13.5 t -75.82 137.45 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -113.25 -34.31 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m -81.28 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 79.0 p -53.99 -45.37 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.2 t -46.12 -41.81 12.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 76.1 mmm -69.09 -38.75 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.512 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 4.4 mmt85 -54.17 -57.23 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -55.66 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -47.57 -59.33 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.53 -55.58 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 814' ' ' TRP . 50.9 t80 -53.01 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -49.24 -41.96 39.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -54.8 -58.69 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 808' ' ' LEU . 17.1 t80 -50.73 -56.0 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.567 ' CD1' HD13 ' A' ' 808' ' ' LEU . 5.0 mm -48.71 -52.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -49.87 -41.92 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -62.84 -39.54 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -62.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.41 89.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -87.26 53.18 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -107.34 -44.51 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.688 ' H ' HD23 ' A' ' 851' ' ' LEU . 0.2 OUTLIER -83.68 -14.09 52.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.08 -51.43 54.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 5.0 m -79.3 107.04 11.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 82.8 p -65.97 176.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.908 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 138.85 149.25 5.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 97.38 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 5.0 t -69.51 174.85 4.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 30.3 t 38.05 42.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 32.1 p -139.09 172.88 12.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 17.2 t -125.58 148.69 48.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 44.38 -168.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 66.6 m -140.89 131.85 26.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 15.9 m -158.35 157.57 32.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -172.15 -159.81 19.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -103.35 -177.62 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -115.9 -38.05 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -131.38 46.53 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -138.38 156.52 47.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 71.5 p -93.69 36.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -74.69 -58.92 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.0 m -91.7 39.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -86.06 -52.08 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -44.26 -43.15 7.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -44.68 -39.04 4.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -57.97 -60.22 4.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 795' ' ' ILE . 5.0 mp -55.1 -39.9 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -57.57 -47.55 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 61.6 p -64.57 -52.95 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.18 -50.41 64.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.78 -52.39 60.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -54.46 -51.28 65.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.0 -59.17 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.468 HD21 HG12 ' A' ' 821' ' ' VAL . 51.0 tp -49.52 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 808' ' ' LEU . 23.3 mt -43.01 -65.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 54.8 p -47.68 -45.44 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.61 -26.49 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 10.2 m-70 -83.57 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 28.6 m80 33.19 54.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 803' ' ' LEU . 75.2 mt -44.94 163.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.71 179.51 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 90.0 p -76.58 -30.07 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -95.91 26.59 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.2 m -73.18 130.11 39.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -111.48 140.67 45.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 815' ' ' SER . 31.7 t-105 -54.54 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 814' ' ' TRP . 25.6 m -34.27 -41.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.3 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.61 -27.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.405 ' HA ' HG22 ' A' ' 821' ' ' VAL . 12.4 tttt -75.01 -48.14 25.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.31 -22.74 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -83.41 -42.48 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.6 m -76.94 -29.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.43 -28.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 58.0 p -86.96 26.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.0 t70 -135.34 140.18 33.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.78 -31.69 19.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -59.5 -30.31 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.592 ' CZ ' ' NH1' ' A' ' 836' ' ' ARG . 3.1 t80 -70.98 -12.96 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -86.88 1.84 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -74.71 -54.71 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.589 HG11 ' HG2' ' A' ' 836' ' ' ARG . 9.0 t -59.98 149.27 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -112.49 -54.06 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.5 t -77.05 148.83 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 35.7 p -80.58 -40.32 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.2 p -54.8 -43.44 72.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 91.3 mmm -56.16 -36.78 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.592 ' NH1' ' CZ ' ' A' ' 827' ' ' TYR . 7.0 mtp180 -68.28 -59.99 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 837' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 841' ' ' LYS . 0.7 OUTLIER -51.22 -39.06 55.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.14 -56.4 6.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -60.37 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -50.86 -54.88 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 837' ' ' GLU . 40.8 mtpt -52.85 -45.7 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.14 -54.24 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 808' ' ' LEU . 12.0 t80 -54.99 -58.31 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 36.4 mm -51.02 -47.26 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -51.07 -45.22 61.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.29 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.42 -63.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.04 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -40.78 -63.19 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -49.32 -55.49 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.31 91.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -85.82 111.82 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 67.8 p -87.65 -50.02 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 54.5 p -79.76 138.84 37.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -84.71 -79.02 1.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.64 163.09 39.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 857' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 858' ' ' SER . 1.5 t -147.56 151.96 37.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 857' ' ' SER . 59.5 p 37.58 42.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.811 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 777' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 778' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 777' ' ' GLY . 33.7 t -38.08 147.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 48.8 m -99.03 144.63 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 121.4 179.76 16.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 21.8 t -127.77 123.82 36.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 22.4 t -59.22 -59.54 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -177.83 57.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -42.68 121.87 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.393 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -69.58 -46.9 65.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -41.59 -50.88 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -106.64 132.83 52.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 789' ' ' LYS . 41.9 t -98.8 -53.83 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 789' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 788' ' ' SER . 3.9 tptm -35.76 -48.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 97.1 m -59.06 -57.47 12.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -57.2 -29.02 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -42.84 -32.84 1.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -47.5 -48.28 27.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.922 0.392 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -66.77 -60.56 2.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.9 mt -44.94 -33.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -73.26 -53.41 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 32.2 t -53.32 -44.22 68.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.62 -53.6 52.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' A' ' 839' ' ' LEU . 17.5 t80 -46.42 -50.2 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -38.06 -51.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' ' 821' ' ' VAL . 53.9 tp -56.97 -62.72 1.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 808' ' ' LEU . 82.9 mt -43.33 -62.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 79.4 p -49.66 -40.32 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 77.8 m-20 -63.74 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.832 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.5 m-70 -82.35 36.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 806' ' ' HIS . 12.5 t60 32.96 55.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 803' ' ' LEU . 41.0 mt -46.31 168.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.74 177.1 11.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 80.6 p -68.36 -50.96 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -84.5 30.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 t -75.55 121.11 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -97.6 148.18 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.464 ' CE2' ' HD2' ' A' ' 818' ' ' LYS . 29.4 t-105 -61.96 -69.01 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 814' ' ' TRP . 43.5 m -36.39 -35.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -73.63 -57.96 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.845 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -53.6 -43.03 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.733 ' HA ' HG22 ' A' ' 821' ' ' VAL . 9.0 ptmt -70.97 -32.36 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 819' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 815' ' ' SER . 5.5 m-20 -71.08 -23.0 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -93.7 -35.83 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 817' ' ' VAL . 10.8 m -77.08 -29.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 821' ' ' VAL . 9.5 pt-20 -35.95 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 821' ' ' VAL . 38.0 p -83.73 29.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.0 t70 -136.6 140.03 31.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.73 -27.81 26.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.4 -29.55 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -69.26 -21.71 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -84.33 -10.35 57.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.81 93.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.404 ' CG1' ' HG3' ' A' ' 836' ' ' ARG . 46.1 t -82.99 120.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.31 -44.84 7.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.4 t -70.36 116.06 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 95.7 p -57.07 -49.81 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 34.9 m -44.92 -41.38 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 84.8 mmm -63.41 -49.04 75.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.404 ' HG3' ' CG1' ' A' ' 830' ' ' VAL . 66.0 mtm180 -55.86 -48.54 75.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.74 -55.99 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.0 -57.85 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 799' ' ' PHE . 67.9 mt -46.91 -59.86 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -50.95 -59.07 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -48.25 -45.44 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -54.53 -56.26 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 808' ' ' LEU . 10.7 t80 -54.64 -58.27 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.546 ' CD1' HD13 ' A' ' 808' ' ' LEU . 8.2 mm -50.07 -55.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -44.92 -47.28 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.79 -46.72 84.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.422 HD11 ' CE1' ' A' ' 843' ' ' TYR . 72.0 mt -56.02 -65.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.78 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -84.96 48.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 850' ' ' ASN . 38.2 p-10 -121.56 79.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.31 117.99 18.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -128.46 88.24 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 40.3 t -106.02 106.12 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 35.8 p -60.31 -61.77 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -42.85 145.94 0.92 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 138.32 37.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.3 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 85.8 p -60.14 112.9 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 56.7 p -153.55 156.2 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 40.7 m -96.65 112.05 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 96.0 p -50.24 -45.24 53.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 133.73 141.88 4.62 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 15.3 t -106.32 -45.65 4.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 31.5 t -158.82 159.5 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 117.65 81.96 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -113.37 113.4 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -108.84 -58.83 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -119.43 104.46 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -51.2 -51.11 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 83.8 p -43.19 -48.17 6.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -66.95 -50.54 62.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.736 HG22 ' HG2' ' A' ' 793' ' ' GLU . 3.7 m -86.59 59.58 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 791' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 791' ' ' ARG . 10.2 ttp-105 -89.31 -20.54 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -52.5 -43.04 58.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' GLU . . . . . 0.736 ' HG2' HG22 ' A' ' 790' ' ' THR . 5.7 pt-20 -64.52 -33.79 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -64.32 -49.9 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.445 HG22 HG22 ' A' ' 830' ' ' VAL . 27.7 mt -61.54 -44.43 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 796' ' ' LYS . . . . . 0.403 ' HG3' HD21 ' A' ' 839' ' ' LEU . 21.9 ttpt -55.86 -52.04 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.3 t -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.07 -61.23 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -41.39 -59.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -50.18 -56.69 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -41.2 -51.09 3.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.583 HD21 ' HB ' ' A' ' 821' ' ' VAL . 36.9 tp -57.65 -62.14 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.767 ' HB3' HD11 ' A' ' 808' ' ' LEU . 46.7 mt -42.84 -62.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 15.1 t -48.34 -43.02 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -61.57 -25.53 67.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.0 m-70 -82.61 33.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 806' ' ' HIS . 39.2 m80 34.34 54.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 803' ' ' LEU . 25.7 mt -46.8 174.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -158.43 178.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 50.5 m -74.61 -37.29 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -93.2 29.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.8 m -90.02 123.5 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -95.51 170.35 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.503 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.3 t-105 -75.33 -69.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 814' ' ' TRP . 18.5 m -36.11 -34.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 814' ' ' TRP . 16.5 mmtm -74.66 -59.18 2.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -51.82 -41.61 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.65 ' HA ' HG22 ' A' ' 821' ' ' VAL . 3.4 ptmm? -70.46 -36.89 74.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.3 -26.96 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -85.83 -36.97 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 818' ' ' LYS . 17.4 m -80.96 -28.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 821' ' ' VAL . 1.3 pp20? -36.5 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 821' ' ' VAL . 11.6 t -83.24 28.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -135.79 140.4 33.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -29.31 23.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.44 -34.11 77.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.23 -21.72 66.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -80.98 -22.89 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -52.56 -50.36 63.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 795' ' ' ILE . 40.3 t -69.04 119.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -92.57 -43.42 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 130.69 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 82.9 p -70.72 -45.48 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.2 t -49.28 -45.24 44.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 82.3 mmm -57.97 -45.86 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 86.7 mtt180 -55.34 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -54.65 -60.46 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -45.45 -58.67 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.403 HD21 ' HG3' ' A' ' 796' ' ' LYS . 63.7 mt -50.03 -54.13 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.96 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -47.21 -38.38 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -62.23 -54.71 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.448 ' CD1' HD11 ' A' ' 847' ' ' ILE . 12.0 t80 -54.62 -54.36 42.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.75 ' CD1' HD13 ' A' ' 808' ' ' LEU . 4.8 mm -53.72 -54.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -46.36 -42.35 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.67 -47.16 82.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.448 HD11 ' CD1' ' A' ' 843' ' ' TYR . 65.9 mt -54.3 -64.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -51.53 -42.48 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -52.06 54.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -100.69 117.26 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 20.6 tp -120.05 111.96 18.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -38.48 101.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 7.1 t -111.33 102.23 10.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 19.9 m -91.23 81.33 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.81 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -116.18 -166.26 14.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.93 13.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 95.7 p -83.79 109.27 17.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 3.2 m -70.07 161.27 30.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 51.9 p -123.59 132.33 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.828 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 78.6 p -55.45 -48.24 74.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 85.76 49.15 4.43 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 15.4 t -61.27 127.6 32.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 5.8 t -101.15 164.03 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 66.34 168.19 2.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.12 95.99 3.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.945 0.403 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -118.03 144.24 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.41 74.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -123.35 165.52 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 19.3 t -63.7 -46.51 85.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.829 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -58.44 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 64.4 m -58.34 -46.13 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -45.62 -46.25 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -70.43 -40.82 68.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -53.06 -56.06 19.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.56 -52.83 27.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -58.21 -44.78 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -57.6 -44.99 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.7 t -59.79 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.19 -52.22 59.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.0 t80 -51.85 -54.69 26.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -55.47 -46.58 76.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.4 -58.97 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.551 HD21 ' HB ' ' A' ' 821' ' ' VAL . 19.5 tp -52.68 -59.28 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.592 ' HB3' HD11 ' A' ' 808' ' ' LEU . 53.1 mt -43.27 -64.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 52.7 p -48.04 -42.59 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.59 -27.23 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.492 ' CE1' HG12 ' A' ' 821' ' ' VAL . 10.2 m-70 -81.24 38.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.0 t60 32.93 54.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 803' ' ' LEU . 30.2 mt -46.51 156.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 809' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.2 p-10 -134.01 176.14 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 25.1 p -70.8 -44.63 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -94.33 29.5 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 812' ' ' SER . . . . . 0.403 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 7.6 t -67.83 124.07 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -95.24 143.17 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.472 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 28.6 t-105 -64.92 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 814' ' ' TRP . 8.7 t -34.93 -43.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -70.1 -64.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.781 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.48 -26.71 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 821' ' ' VAL . 17.8 ttpp -76.42 -44.28 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 819' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 819' ' ' ASP . 0.3 OUTLIER -68.52 -22.53 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -89.59 -39.4 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 817' ' ' VAL . 31.8 m -76.99 -30.19 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -38.93 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.2 t -85.07 29.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.7 t70 -132.03 139.81 36.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.82 -31.27 20.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -61.5 -37.01 82.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 3.0 t80 -62.05 -23.49 66.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -77.92 -27.38 49.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -53.14 -42.54 66.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.54 123.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.07 -44.01 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.4 m -70.06 105.96 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 71.9 m -49.87 -48.0 51.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.8 m -43.92 -44.34 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 71.2 mmm -58.82 -42.56 89.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -59.94 -53.21 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -62.39 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -49.16 -61.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.2 mt -46.03 -60.84 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -48.25 -57.77 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -49.46 -48.92 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.11 -60.27 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.436 ' CE1' HD11 ' A' ' 847' ' ' ILE . 2.8 t80 -47.54 -54.6 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.5 mm -54.86 -47.68 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.43 -41.95 41.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -65.7 -46.99 76.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 843' ' ' TYR . 92.9 mt -54.11 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -45.49 -43.57 11.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -55.43 -54.19 46.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -90.0 78.97 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 10.3 tp -91.3 110.76 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -52.93 121.62 7.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 58.3 m -112.06 152.3 28.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 34.8 t -107.84 -57.89 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -164.85 -106.64 0.2 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 84.95 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 0.0 112.357 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 4.9 m -158.93 138.52 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 43.3 m -97.52 171.15 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 2.3 m -129.5 149.45 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 1.9 t -112.57 -49.08 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 122.91 164.06 11.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 39.4 m -108.42 152.92 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 73.1 m -58.82 113.62 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -155.31 51.96 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -93.22 101.35 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -76.37 176.5 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -102.42 49.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -118.33 166.84 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 46.8 p -80.22 53.11 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -125.28 -42.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 6.0 t -74.47 -29.42 61.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -68.0 -37.58 81.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -51.9 -34.0 37.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -54.21 -58.97 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -54.35 -58.75 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.7 mt -45.35 -43.72 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -62.5 -60.13 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 16.7 t -41.88 -57.59 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.48 -42.93 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 803' ' ' LEU . 11.7 t80 -54.36 -60.34 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.79 -52.92 45.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.79 -52.03 6.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.468 HD13 ' NH2' ' A' ' 826' ' ' ARG . 58.6 tp -59.45 -59.74 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 799' ' ' PHE . 83.7 mt -44.76 -59.51 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -50.75 -41.92 57.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.36 -25.57 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.608 ' NE2' HG12 ' A' ' 821' ' ' VAL . 3.4 m80 -81.08 36.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.475 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.6 t-80 32.16 55.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 843' ' ' TYR . 95.3 mt -45.68 170.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -156.85 -179.97 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.5 p -69.24 -55.74 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.72 22.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 5.6 p -51.45 119.96 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -88.9 135.11 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 815' ' ' SER . 39.3 t-105 -67.55 -68.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.7 t -33.43 -41.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -63.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.875 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -29.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.539 ' HA ' HG22 ' A' ' 821' ' ' VAL . 22.8 ttpp -76.12 -41.76 49.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.45 -14.12 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -100.18 -35.61 9.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.8 m -80.92 -29.18 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -48.64 -36.01 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.5 t -54.07 -30.32 47.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.442 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.6 t70 -86.93 140.18 32.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.4 Cg_endo -69.79 -27.84 25.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.468 ' NH2' HD13 ' A' ' 802' ' ' LEU . 85.2 mtm180 -58.08 -37.21 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -60.87 -32.5 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -68.46 -22.88 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.26 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.28 96.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.21 -40.16 71.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 35.8 t -70.84 119.38 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.0 m -65.07 -44.35 89.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 20.3 m -48.41 -41.32 28.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 69.3 mmm -61.56 -41.19 97.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.92 -57.56 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' GLU . . . . . 0.428 ' O ' ' CD ' ' A' ' 841' ' ' LYS . 13.2 mt-10 -61.63 -48.27 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.21 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 62.0 mt -48.74 -59.53 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 840' ' ' PHE . . . . . 0.41 ' HD1' HD22 ' A' ' 803' ' ' LEU . 75.4 t80 -47.5 -55.91 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 837' ' ' GLU . 18.1 mtpp -53.83 -50.3 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -48.48 -57.02 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 808' ' ' LEU . 14.2 t80 -52.77 -56.56 14.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.434 HD11 HD22 ' A' ' 808' ' ' LEU . 21.8 mm -51.6 -46.19 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -52.17 -45.69 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.4 -43.96 96.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 843' ' ' TYR . 55.0 mt -59.72 -61.94 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -38.99 -64.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -53.45 57.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -105.26 89.88 3.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' ' 851' ' ' LEU . 4.4 mp -66.28 130.41 43.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -117.71 169.69 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.1 m -133.99 154.77 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 71.2 m -107.18 129.02 54.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -158.5 -85.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -26.95 27.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.32 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 7.1 t -84.94 125.71 32.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 30.2 p -49.25 110.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 71.0 m -102.62 42.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 41.8 t -54.59 127.83 29.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 70.01 52.71 17.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 84.0 p -107.18 136.82 46.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 60.7 p -62.83 149.03 45.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -135.83 138.19 9.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -53.35 168.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.963 0.411 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 84.86 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -92.0 152.07 20.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 788' ' ' SER . 12.8 t70 -49.5 168.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.444 ' N ' ' CG ' ' A' ' 787' ' ' ASP . 5.7 m -92.54 45.96 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 789' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 789' ' ' LYS . 0.6 OUTLIER -83.29 -63.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 791' ' ' ARG . 8.8 t -71.51 -42.32 68.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 791' ' ' ARG . . . . . 0.45 ' N ' HG23 ' A' ' 790' ' ' THR . 55.2 ttp85 -41.91 -43.03 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -58.74 -43.3 96.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -51.44 -57.22 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.01 -54.36 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 26.5 mt -53.81 -53.88 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 796' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 839' ' ' LEU . 12.6 ttpp -51.14 -39.21 55.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 40.6 t -59.96 -53.77 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.45 -46.67 63.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -53.49 -54.25 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -54.28 -47.17 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.29 -57.04 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.71 HD21 ' HB ' ' A' ' 821' ' ' VAL . 35.0 tp -52.7 -61.43 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.908 ' HB3' HD11 ' A' ' 808' ' ' LEU . 48.2 mt -42.45 -64.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 33.4 p -47.32 -43.5 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -83.33 33.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.6 t-80 33.91 54.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 803' ' ' LEU . 31.1 mt -44.86 157.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.7 p-10 -136.17 166.8 22.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.9 p -60.35 -49.36 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -87.66 30.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 25.4 t -63.15 122.58 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -94.11 123.94 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.572 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 25.2 t-105 -50.59 -54.24 24.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.6 t -46.51 -38.98 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -74.96 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.453 HG11 ' CE1' ' A' ' 840' ' ' PHE . 0.6 OUTLIER -47.76 -31.19 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 18.0 ttpp -74.64 -49.35 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.86 -13.3 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -92.68 -36.23 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.71 ' HB ' HD21 ' A' ' 802' ' ' LEU . 34.4 m -85.84 -29.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -38.84 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 22.8 t -85.23 29.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.7 t70 -137.71 139.72 27.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.74 -32.08 19.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -61.37 -32.58 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.1 t80 -66.85 -23.08 65.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -73.82 -20.78 60.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.46 -51.83 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.35 113.69 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -82.14 -51.22 8.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 t -72.82 136.99 45.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 45.9 m -73.65 -41.71 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.1 m -48.48 -41.79 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 86.2 mmm -59.93 -45.62 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.572 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 84.1 mtm-85 -55.72 -50.81 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -63.55 -60.24 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -47.4 -61.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 796' ' ' LYS . 83.6 mt -48.31 -60.69 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 840' ' ' PHE . . . . . 0.453 ' CE1' HG11 ' A' ' 817' ' ' VAL . 66.7 t80 -44.6 -54.22 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.24 -45.62 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -52.96 -58.73 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.466 ' CD1' HD12 ' A' ' 808' ' ' LEU . 13.6 t80 -51.96 -59.83 3.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 40.3 mm -50.98 -43.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.25 -43.66 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -62.98 -47.58 82.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.0 mt -53.36 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -42.11 -48.83 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 849' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 849' ' ' LYS . 0.9 OUTLIER -60.18 -55.53 32.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -89.33 102.24 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 21.1 tp -137.82 119.8 15.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -94.91 58.5 2.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 3.5 m -127.16 106.29 9.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 79.6 p -108.77 144.24 36.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -160.08 -162.56 12.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -26.42 27.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 40.8 t -41.01 -55.21 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 p -118.34 -49.99 2.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 59.8 p 38.76 42.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.883 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 9.4 t -92.67 167.56 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 116.5 69.37 0.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 79.4 p -122.69 101.18 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 3.4 m -59.01 146.41 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -142.06 -88.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.534 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 785' ' ' LYS . 24.8 tp10 -117.56 153.78 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 784' ' ' GLU . 12.2 ttmm -37.17 147.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -86.47 136.34 33.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -134.7 138.24 44.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 18.7 m -83.59 47.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.42 -41.93 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 9.3 t -74.81 -26.35 59.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -91.86 35.77 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' GLY . . . . . 0.748 ' HA2' HD12 ' A' ' 795' ' ' ILE . . . -59.5 -48.41 86.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -43.05 -57.62 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.71 -52.19 60.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.748 HD12 ' HA2' ' A' ' 792' ' ' GLY . 40.2 mt -48.02 -42.81 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -62.19 -55.99 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 15.0 t -48.9 -55.18 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -51.2 -47.57 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.2 t80 -49.79 -56.89 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.41 -53.97 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.427 ' O ' ' ND2' ' A' ' 805' ' ' ASN . 37.2 mt-10 -40.59 -59.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.607 HD21 ' HB ' ' A' ' 821' ' ' VAL . 44.0 tp -54.71 -60.43 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 799' ' ' PHE . 93.9 mt -40.23 -55.4 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 28.0 p -55.26 -43.41 74.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 801' ' ' GLU . 2.2 m-80 -59.16 -24.26 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.57 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.9 m-70 -81.43 35.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 806' ' ' HIS . 4.8 m170 31.82 55.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 843' ' ' TYR . 76.0 mt -43.97 168.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -158.12 161.8 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 46.3 p -63.61 -14.82 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -118.8 27.29 8.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.1 t -74.78 124.39 26.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -92.14 152.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 23.6 t-105 -71.62 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 m -39.59 -40.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -72.84 -63.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -28.57 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.422 ' HA ' HG22 ' A' ' 821' ' ' VAL . 28.0 ttpt -75.52 -47.63 26.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -65.5 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -89.66 -40.31 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.607 ' HB ' HD21 ' A' ' 802' ' ' LEU . 29.2 m -78.81 -29.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -39.1 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.1 t -85.05 26.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.7 t70 -138.31 139.93 26.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.1 Cg_endo -69.75 -31.71 20.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -59.44 -38.26 80.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.41 ' CD2' ' CG2' ' A' ' 821' ' ' VAL . 8.2 t80 -60.14 -27.63 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -73.55 -29.43 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.682 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -43.01 -46.19 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.87 130.07 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -104.96 -44.14 4.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 29.5 t -72.48 114.07 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.4 m -52.47 -44.89 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 3.2 t -47.68 -46.53 29.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.71 -38.2 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.49 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 90.2 mtt180 -66.06 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.54 -47.8 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.08 -64.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.9 mt -49.49 -57.52 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -49.78 -59.97 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -49.74 -50.51 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -45.81 -55.37 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 808' ' ' LEU . 12.6 t80 -52.98 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.7 mm -49.13 -54.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -44.3 -48.03 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.61 -48.17 80.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 843' ' ' TYR . 66.4 mt -54.69 -65.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -48.95 -41.45 34.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -94.47 44.18 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -81.08 -45.28 16.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 851' ' ' LEU . 0.5 OUTLIER -96.68 94.15 7.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -121.49 86.81 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.0 m -119.72 46.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 3.1 t 67.42 47.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -126.33 -150.36 7.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 176.83 6.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 37.1 m -115.9 172.84 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 37.7 t -86.37 101.28 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 86.3 p -155.38 165.93 35.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 8.4 t -83.04 148.43 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -107.11 -157.27 20.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 35.5 m -120.54 138.69 53.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.386 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 60.0 p -160.95 133.56 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 166.35 159.92 12.86 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.443 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 785' ' ' LYS . 8.7 tt0 -85.16 142.54 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.413 ' N ' ' HG2' ' A' ' 784' ' ' GLU . 39.0 mtmt -70.72 -51.64 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -46.72 103.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -77.83 110.16 12.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.432 ' C ' ' HE3' ' A' ' 789' ' ' LYS . 80.7 p -127.25 89.6 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 789' ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' ' 789' ' ' LYS . 0.1 OUTLIER -85.01 -55.21 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.8 t -103.32 -16.34 15.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -63.85 -48.99 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' GLY . . . . . 0.499 ' HA2' HD12 ' A' ' 795' ' ' ILE . . . -45.14 -49.0 10.08 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.94 -60.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.388 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -53.88 -56.98 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.549 HG23 ' HB1' ' A' ' 829' ' ' ALA . 17.4 mt -46.58 -42.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -60.82 -54.0 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 68.2 m -52.29 -55.31 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.03 -51.38 31.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 803' ' ' LEU . 19.2 t80 -49.76 -56.33 10.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -50.14 -50.43 48.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.59 -59.19 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.42 HD13 HH21 ' A' ' 826' ' ' ARG . 41.8 tp -49.5 -65.02 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.914 ' HB3' HD11 ' A' ' 808' ' ' LEU . 37.3 mt -40.88 -64.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.3 t -47.21 -44.2 22.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -57.88 -28.73 64.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.27 34.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 56.4 m-70 33.25 55.0 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.914 HD11 ' HB3' ' A' ' 803' ' ' LEU . 42.5 mt -44.25 159.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -137.33 164.22 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 71.2 m -62.69 -38.38 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.61 29.93 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 10.1 t -69.28 130.65 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.31 139.19 34.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.453 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.3 t-105 -63.02 -55.68 23.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -44.17 -40.69 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -73.1 -63.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.6 OUTLIER -47.65 -29.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 821' ' ' VAL . 28.8 ttpt -75.07 -48.33 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -22.33 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -85.99 -41.94 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 817' ' ' VAL . 26.8 m -77.17 -29.94 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.8 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 821' ' ' VAL . 50.3 m -84.87 26.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.6 t70 -135.96 139.86 31.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.75 -28.17 25.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 826' ' ' ARG . . . . . 0.42 HH21 HD13 ' A' ' 802' ' ' LEU . 52.4 mtm-85 -62.12 -35.48 78.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -64.2 -24.52 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -78.39 -21.01 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.549 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -50.63 -54.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 3.9 t -67.83 106.66 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -66.57 -57.11 7.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 127.96 34.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 21.9 m -66.1 -42.19 89.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.0 m -47.83 -45.2 29.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 835' ' ' MET . . . . . 0.417 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 79.7 mmm -52.83 -57.27 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.443 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 65.1 mtm180 -51.47 -60.95 2.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -45.91 -44.24 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.35 -65.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 81.5 mt -41.39 -51.62 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.81 -51.23 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.25 -41.02 83.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -56.77 -61.54 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -48.18 -53.63 16.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 808' ' ' LEU . 10.2 mm -56.28 -49.83 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -47.68 -39.66 17.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -67.74 -49.42 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 850' ' ' ASN . 80.8 mt -51.2 -66.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -41.56 -38.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -100.36 39.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 847' ' ' ILE . 49.1 t30 -103.55 -20.61 13.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 851' ' ' LEU . 0.3 OUTLIER -111.27 44.72 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 852' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 852' ' ' ASP . 34.2 t0 -81.92 125.4 30.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.7 t -65.42 141.58 58.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 28.8 t -173.84 129.17 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -92.02 145.28 17.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 39.7 m -117.75 175.23 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 63.2 m -52.64 149.2 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 777' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 778' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 778' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 777' ' ' GLY . 6.4 t -35.89 107.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 6.6 t -48.08 -46.28 33.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 114.28 174.96 18.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 8.2 t -73.99 163.52 27.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 11.2 t 43.87 41.68 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -84.73 -90.37 0.81 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -124.93 40.9 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -55.79 147.05 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -73.53 86.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -113.63 110.83 20.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 19.7 m -82.86 94.54 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -101.44 -45.53 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 790' ' ' THR . 14.5 m -102.1 48.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -84.13 44.05 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -89.19 -42.97 5.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -55.1 -49.98 70.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -46.53 -55.08 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.42 ' CG2' HG22 ' A' ' 830' ' ' VAL . 39.1 mt -55.72 -48.7 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -44.43 81.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.9 t -58.91 -45.97 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.63 -47.84 81.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.752 ' CE2' HD11 ' A' ' 803' ' ' LEU . 27.7 t80 -52.17 -55.73 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 800' ' ' PHE . . . . . 0.41 ' CZ ' HD22 ' A' ' 839' ' ' LEU . 10.1 m-85 -54.25 -50.86 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -44.35 -53.82 6.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.413 HD21 ' HB ' ' A' ' 821' ' ' VAL . 20.7 tp -57.06 -64.17 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 799' ' ' PHE . 42.2 mt -42.46 -60.21 1.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 93.4 p -52.35 -42.41 63.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 62.7 m-20 -58.85 -25.7 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.6 m-70 -82.14 35.16 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.3 OUTLIER 33.29 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.493 HD12 ' CE1' ' A' ' 843' ' ' TYR . 96.7 mt -44.45 156.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.83 167.55 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 22.7 p -69.76 -10.24 57.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -118.11 29.83 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 7.0 m -77.01 127.1 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -102.89 123.44 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.525 ' CE2' ' HD3' ' A' ' 818' ' ' LYS . 26.6 t-105 -45.74 -68.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 814' ' ' TRP . 61.7 p -34.8 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -70.61 -63.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.4 OUTLIER -49.08 -27.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 19.6 ttpt -73.0 -51.57 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -66.1 -14.92 62.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -91.14 -41.51 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 817' ' ' VAL . 33.8 m -77.52 -29.76 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -38.77 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.8 m -83.54 24.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.8 t70 -133.05 139.97 36.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.71 -31.8 20.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -61.05 -37.92 84.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -62.43 -25.01 67.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -76.66 -26.7 55.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.06 -54.15 17.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.42 HG22 ' CG2' ' A' ' 795' ' ' ILE . 48.2 t -70.89 107.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.9 -43.06 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 24.6 m -71.16 118.92 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 31.1 t -61.05 -49.49 77.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -44.13 -41.74 5.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 81.5 mmm -59.23 -49.19 78.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -60.5 -56.3 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.72 -54.43 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.95 -65.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 800' ' ' PHE . 79.1 mt -44.08 -54.85 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.18 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -46.68 -44.11 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.07 -53.55 51.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.493 ' CE1' HD12 ' A' ' 808' ' ' LEU . 5.7 t80 -52.54 -53.37 47.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.0 mm -57.45 -47.47 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -49.83 -40.42 41.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.25 -53.14 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 77.6 mt -47.2 -64.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -41.88 -46.32 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -42.5 -49.87 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -106.64 92.82 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 16.8 tp -82.13 51.42 1.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -67.86 104.72 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 90.0 p -86.15 160.81 19.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 6.1 t -69.3 -58.94 3.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 174.25 -96.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 90.94 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.695 2.264 . . . . 0.0 112.313 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 56.9 p -167.24 173.2 9.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 58.6 m -104.42 -47.22 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 4.6 m -114.39 151.65 32.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.829 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 84.5 p -136.05 109.31 7.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 108.69 -125.36 7.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 12.0 t -136.03 142.57 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 21.3 m -70.78 -59.22 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 40.48 -147.34 0.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -42.7 120.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -63.94 -54.33 36.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.57 128.75 55.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -127.47 128.77 46.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 28.0 m -58.61 -64.95 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -68.72 -53.11 24.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 790' ' ' THR . 17.5 m -82.2 49.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -85.66 48.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 793' ' ' GLU . . . -80.8 -47.89 6.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 793' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 792' ' ' GLY . 9.6 mp0 -36.09 -49.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 110.849 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -59.52 -67.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.4 ' CG2' HG22 ' A' ' 830' ' ' VAL . 26.9 mt -43.44 -49.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -52.12 -45.1 64.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.5 m -63.86 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -46.94 -47.86 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.586 ' CE2' HD11 ' A' ' 803' ' ' LEU . 19.5 t80 -52.53 -57.67 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 800' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 839' ' ' LEU . 19.1 m-85 -54.38 -46.05 72.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -47.18 -56.48 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 14.3 tp -57.46 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.586 HD11 ' CE2' ' A' ' 799' ' ' PHE . 85.8 mt -48.85 -62.52 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 804' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 15.2 t -48.62 -40.05 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -62.57 -28.26 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.566 ' NE2' HG12 ' A' ' 821' ' ' VAL . 2.8 m80 -76.75 44.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.508 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.6 OUTLIER 29.55 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 843' ' ' TYR . 78.6 mt -49.43 139.0 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -125.4 179.09 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 68.6 p -70.86 -43.06 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -95.35 29.18 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.4 t -63.9 122.64 16.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -94.86 137.83 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 44.6 t-105 -62.83 -66.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 814' ' ' TRP . 21.4 m -33.72 -40.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -70.7 -62.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.79 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -50.12 -28.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.505 ' HA ' HG22 ' A' ' 821' ' ' VAL . 25.6 tttp -74.43 -44.51 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.19 -16.87 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -94.77 -38.71 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 817' ' ' VAL . 30.9 m -77.23 -33.24 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -39.56 -25.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.5 t -84.63 24.73 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.1 t70 -133.7 139.9 35.05 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -30.79 21.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -60.77 -36.85 79.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.4 -27.76 67.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -74.48 -27.54 60.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.36 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.4 HG22 ' CG2' ' A' ' 795' ' ' ILE . 6.3 t -73.37 131.63 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -96.46 -54.79 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 75.5 m -70.72 110.58 5.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 97.2 p -51.85 -39.96 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.0 m -48.43 -38.53 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.0 mmm -64.72 -48.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 799' ' ' PHE . 87.8 mtt180 -52.09 -50.52 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.31 -56.72 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -49.41 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.585 HD22 ' CZ ' ' A' ' 800' ' ' PHE . 60.0 mt -46.91 -50.88 18.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.41 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -45.72 -43.32 12.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -54.93 -57.53 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.617 ' CE1' HD12 ' A' ' 808' ' ' LEU . 11.5 t80 -50.81 -55.44 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 18.7 mm -51.57 -47.25 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.33 -42.7 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -63.36 -46.91 84.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 84.6 mt -53.82 -65.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -50.78 -45.53 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -90.22 43.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.467 ' C ' HD12 ' A' ' 851' ' ' LEU . 59.0 t30 -103.26 42.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.467 HD12 ' C ' ' A' ' 850' ' ' ASN . 6.1 mp -137.33 174.44 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.6 130.64 38.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.9 m -76.53 -55.18 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 79.7 p -135.03 166.2 23.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -55.86 159.46 7.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 175.11 8.54 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 88.0 p -145.57 147.28 31.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 12.9 m -144.09 136.85 27.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 50.2 m 39.1 39.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 1.3 t -119.8 87.11 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -131.92 165.46 23.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 35.9 m -142.95 129.27 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 35.3 m -107.18 168.26 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.798 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -170.02 155.06 24.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 784' ' ' GLU . 8.9 pt-20 -101.41 115.53 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.864 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.01 -25.68 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 787' ' ' ASP . 12.2 pt-20 -131.33 -46.75 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 787' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 81.0 m-20 -81.23 50.94 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 791' ' ' ARG . 66.6 m -81.28 -54.12 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -43.21 -55.75 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 14.2 t -65.68 -18.75 65.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 788' ' ' SER . 9.6 tpp180 -70.82 -50.16 38.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -59.4 -53.64 44.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.66 -57.06 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.958 0.408 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -44.43 -58.4 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.78 -51.42 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -49.16 -43.55 42.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 8.2 t -59.51 -56.81 17.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' ASP . . . . . 0.553 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -52.87 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.553 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 10.9 t80 -42.51 -61.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -50.35 -55.98 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 29.8 mt-10 -40.57 -58.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.726 HD21 ' HB ' ' A' ' 821' ' ' VAL . 58.2 tp -51.96 -67.19 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 808' ' ' LEU . 59.3 mt -39.18 -60.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 76.6 p -52.76 -40.07 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.8 m-20 -62.0 -24.3 66.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 807' ' ' HIS . 19.8 m-70 -83.85 31.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 806' ' ' HIS . 85.4 m-70 35.31 54.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 843' ' ' TYR . 89.3 mt -43.72 166.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -153.15 162.43 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 86.5 p -59.03 -17.01 21.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -110.12 26.22 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' SER . . . . . 0.448 ' OG ' HD12 ' A' ' 844' ' ' ILE . 6.8 p -65.68 122.16 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -102.11 114.1 27.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.415 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 30.0 t-105 -42.92 -54.28 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -47.02 -39.48 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -74.69 -63.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.7 OUTLIER -47.61 -29.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.495 ' HA ' HG22 ' A' ' 821' ' ' VAL . 5.4 ttpm? -76.38 -48.54 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -66.84 -16.1 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -93.58 -40.52 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.726 ' HB ' HD21 ' A' ' 802' ' ' LEU . 31.9 m -77.37 -29.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -38.71 -26.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 4.5 t -83.09 24.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 10.7 t70 -137.25 140.63 31.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.453 ' HA ' ' CE ' ' A' ' 828' ' ' LYS . 53.8 Cg_endo -69.76 -32.99 17.51 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -52.55 -41.96 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.2 t80 -62.52 -36.76 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 828' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 825' ' ' PRO . 8.1 mtmt -71.52 -19.68 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.606 HG11 ' HG3' ' A' ' 836' ' ' ARG . 42.2 t -63.16 122.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -93.93 -52.78 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 51.4 m -71.97 120.08 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 86.7 p -61.6 -41.5 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 26.4 t -48.43 -42.85 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 80.0 mmm -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.606 ' HG3' HG11 ' A' ' 830' ' ' VAL . 46.6 mtm180 -55.77 -61.39 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.94 -55.66 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.59 -61.09 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.1 -52.48 34.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.95 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -50.74 -39.17 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -56.52 -55.83 28.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.517 ' CD1' HD12 ' A' ' 808' ' ' LEU . 13.5 t80 -55.9 -54.63 42.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.448 HD12 ' OG ' ' A' ' 812' ' ' SER . 27.9 mm -54.06 -45.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.59 -44.66 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.72 -64.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -50.08 -38.32 37.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -70.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -112.3 98.13 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.657 ' H ' HD23 ' A' ' 851' ' ' LEU . 0.6 OUTLIER -103.37 158.62 16.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.95 146.05 25.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 26.8 p -51.88 117.89 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 41.0 t -111.71 163.74 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -86.08 -95.64 0.8 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 87.52 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 92.5 p -83.27 -50.18 8.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.1 t -90.34 125.3 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 20.4 m -51.11 150.25 3.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 28.3 t -117.73 107.45 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 174.91 141.28 3.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.4 p -125.78 -45.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 3.4 m -81.66 105.76 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 166.57 -127.44 1.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -125.73 146.37 49.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.401 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 41.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -92.89 42.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 790' ' ' THR . 11.6 p-10 -123.43 148.66 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.9 t -86.51 -28.74 23.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -54.48 -47.98 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 787' ' ' ASP . 4.3 t -46.0 -23.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -60.73 -45.11 95.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -48.4 -40.44 23.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -39.52 -53.84 2.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.933 0.397 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -54.5 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.425 HG12 ' HB1' ' A' ' 829' ' ' ALA . 18.2 mt -44.27 -45.11 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -60.35 -57.25 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.3 t -53.59 -58.35 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 798' ' ' ASP . 0.7 OUTLIER -48.52 -60.76 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 803' ' ' LEU . 9.6 t80 -38.38 -54.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.17 -51.8 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.22 -65.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 44.4 tp -45.86 -66.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 799' ' ' PHE . 77.0 mt -39.64 -61.34 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 804' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 13.6 t -51.82 -40.11 59.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -59.95 -27.15 66.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.488 ' O ' ' C ' ' A' ' 807' ' ' HIS . 3.1 m80 -78.76 43.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.488 ' C ' ' O ' ' A' ' 806' ' ' HIS . 93.8 m-70 31.06 55.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 804' ' ' SER . 86.4 mt -50.64 155.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -162.07 176.78 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 37.5 p -59.12 -39.27 81.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -84.65 30.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 69.2 p -76.55 120.48 21.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -106.82 136.62 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.2 t-105 -64.42 -57.77 8.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.6 m -42.24 -44.03 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -71.75 -63.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.782 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.61 -26.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.581 ' HA ' HG22 ' A' ' 821' ' ' VAL . 26.9 tttp -81.11 -40.01 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.98 -18.6 61.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.32 -34.7 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.2 m -79.55 -31.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -44.76 -22.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.2 t -86.1 25.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.7 t70 -135.02 139.82 33.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.522 0.677 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.2 Cg_endo -69.82 -31.84 19.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -63.53 -30.56 71.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.94 -24.75 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.55 -16.56 55.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.425 ' HB1' HG12 ' A' ' 795' ' ' ILE . . . -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 9.6 t -85.76 116.89 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -86.46 -51.53 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.7 t -71.19 115.06 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 39.9 t -56.6 -35.43 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.5 m -54.53 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' MET . . . . . 0.439 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 83.7 mmm -66.62 -46.22 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.505 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 78.2 mtt180 -55.55 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.21 -47.8 75.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.36 -65.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 80.6 mt -46.62 -52.36 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -52.08 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -50.52 -44.87 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -50.51 -61.21 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.501 ' CE1' HD11 ' A' ' 847' ' ' ILE . 19.5 t80 -49.4 -60.91 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.95 -50.01 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.06 -50.17 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -55.23 -41.71 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 843' ' ' TYR . 76.1 mt -62.02 -64.06 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 848' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 851' ' ' LEU . . . -51.55 -60.39 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -62.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 850' ' ' ASN . 2.6 t30 -112.78 95.77 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 851' ' ' LEU . 3.7 mm? -68.44 127.27 32.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.72 168.36 2.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 81.0 p -95.98 132.91 40.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 84.7 p -83.58 172.47 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 165.51 -157.25 29.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 2.84 3.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.732 2.288 . . . . 0.0 112.356 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 30.2 p -58.78 136.69 57.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 96.0 p -57.56 -14.63 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 56.6 m -157.1 171.3 20.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 44.0 m -109.12 172.3 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -117.57 -169.2 14.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 781' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 782' ' ' SER . 60.7 m -160.1 157.43 28.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 782' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 781' ' ' SER . 4.0 m -35.3 147.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -142.89 -119.46 1.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 786' ' ' GLU . 4.7 tp10 -154.5 126.48 7.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.05 93.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 784' ' ' GLU . 17.2 pt-20 -84.99 146.21 27.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.36 141.18 45.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 65.6 m -131.84 127.52 36.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -29.14 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 76.2 m -131.42 -32.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -49.73 -46.73 50.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 793' ' ' GLU . . . -45.87 -60.52 4.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 793' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 792' ' ' GLY . 3.7 tp10 -37.08 -46.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.389 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -63.55 -55.21 25.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.495 HG22 HG22 ' A' ' 830' ' ' VAL . 58.8 mt -53.01 -52.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -49.45 77.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 7.7 t -55.23 -58.91 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -48.81 -47.26 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 803' ' ' LEU . 22.2 t80 -52.45 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -47.86 -47.29 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -48.04 -61.19 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 47.3 tp -49.89 -62.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.934 ' HB3' HD11 ' A' ' 808' ' ' LEU . 66.9 mt -39.47 -63.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 10.5 p -49.68 -40.19 39.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.09 -26.9 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.7 m-70 -83.69 31.41 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.8 m-70 33.89 54.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 803' ' ' LEU . 72.8 mt -47.28 157.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -143.3 170.56 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.3 p -65.4 -24.62 67.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -101.35 30.18 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 26.3 p -63.15 127.4 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 813' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 816' ' ' LYS . 1.1 tpm_? -104.62 100.31 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 813' ' ' ARG . 27.0 t-105 -36.5 -47.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 57.9 m -52.97 -42.69 65.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 816' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 813' ' ' ARG . 14.4 mmtp -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.79 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.32 -37.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.406 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 21.9 ttpp -66.88 -47.82 70.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.42 -15.81 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 -36.93 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 817' ' ' VAL . 30.1 m -82.32 -29.84 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -41.39 -25.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 821' ' ' VAL . 70.6 m -83.96 20.92 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.6 t70 -128.97 139.91 37.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.93 21.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -59.67 -35.91 75.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.96 -27.9 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -77.66 -23.33 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.19 55.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 832' ' ' SER . 43.5 t -73.1 92.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.22 -48.78 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 832' ' ' SER . . . . . 0.569 ' O ' HG12 ' A' ' 830' ' ' VAL . 1.1 t -72.24 155.45 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 13.6 m -93.64 -42.07 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 12.4 t -48.53 -42.84 34.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 835' ' ' MET . . . . . 0.449 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 78.2 mmm -57.47 -47.8 80.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -54.9 -52.35 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.92 -62.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -46.45 -64.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 74.7 mt -47.39 -43.91 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.5 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -51.86 -48.79 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.48 -55.45 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 847' ' ' ILE . 14.9 t80 -53.17 -62.33 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 844' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 31.7 mm -48.21 -46.1 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.89 -41.07 64.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -64.85 -44.39 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.2 mt -57.31 -65.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.26 11.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -46.1 166.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -69.78 78.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.933 HD22 ' N ' ' A' ' 852' ' ' ASP . 0.0 OUTLIER -93.67 179.98 5.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 852' ' ' ASP . . . . . 0.933 ' N ' HD22 ' A' ' 851' ' ' LEU . 13.9 t0 -137.55 138.04 39.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 38.5 m -101.3 145.05 29.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 57.6 m -68.1 -57.24 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 148.32 126.11 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -34.49 14.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 86.2 p -52.59 140.62 22.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 33.6 t -162.65 150.14 13.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 1.5 t 45.61 42.15 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 27.6 t -155.19 139.25 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 136.77 122.41 2.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 2.2 m -117.99 175.08 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 6.2 m -73.52 -55.16 6.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 179.82 173.79 45.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 54.43 51.01 14.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -97.8 121.42 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -105.98 41.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.97 168.39 10.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 10.2 m -83.46 44.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -85.76 -52.22 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.3 t -60.91 -31.23 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' ARG . . . . . 0.561 ' HG3' HD11 ' A' ' 795' ' ' ILE . 4.7 tpt85 -44.32 -51.67 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -52.31 -54.8 25.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.85 -53.81 52.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -52.67 -59.93 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.561 HD11 ' HG3' ' A' ' 791' ' ' ARG . 23.4 mt -49.62 -40.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -62.52 -49.08 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 5.8 m -55.08 -55.0 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.29 -43.22 67.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 803' ' ' LEU . 16.0 t80 -52.74 -60.25 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -51.03 -54.33 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 55.1 mt-10 -43.31 -54.4 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.62 HD21 ' HB ' ' A' ' 821' ' ' VAL . 24.4 tp -55.07 -62.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.455 HD11 ' CE2' ' A' ' 799' ' ' PHE . 48.0 mt -41.16 -62.68 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.977 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 26.4 t -49.26 -39.84 32.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 33.8 m-20 -63.09 -25.62 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.714 ' CE1' HG12 ' A' ' 821' ' ' VAL . 6.5 m80 -81.15 38.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.2 t-160 32.11 54.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 843' ' ' TYR . 75.0 mt -47.47 165.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 809' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 810' ' ' SER . 0.7 OUTLIER -157.56 165.72 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 810' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 809' ' ' ASP . 81.9 p -59.72 -42.54 93.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -89.97 30.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 35.0 t -72.32 125.4 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 813' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 813' ' ' ARG . 5.4 mmm180 -98.21 132.59 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.422 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.2 t-105 -56.65 -61.27 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.5 m -40.19 -39.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -73.42 -64.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.652 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.74 -28.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' ' 821' ' ' VAL . 26.7 ttpt -76.91 -46.04 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -16.71 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -92.81 -31.68 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.714 HG12 ' CE1' ' A' ' 806' ' ' HIS . 34.2 m -89.59 -29.13 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 823' ' ' SER . 20.9 pt-20 -46.16 -45.34 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 21.9 t -48.18 -30.36 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -86.3 140.19 34.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.6 Cg_endo -69.7 -28.81 25.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -56.68 -37.52 70.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.01 -34.48 74.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.26 -26.3 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.419 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -45.11 -58.36 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.442 ' O ' ' NH1' ' A' ' 836' ' ' ARG . 59.9 t -66.24 99.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -75.37 -37.01 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 56.1 m -74.2 118.74 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 37.9 t -62.69 -52.25 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.6 m -42.12 -42.37 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.4 mmm -63.82 -42.35 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 830' ' ' VAL . 82.6 mtm-85 -56.08 -55.68 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.7 -56.49 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.09 -61.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.3 mt -48.52 -58.32 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -50.9 -62.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -47.77 -45.42 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -52.6 -56.94 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.49 ' CE1' HD12 ' A' ' 808' ' ' LEU . 17.5 t80 -51.34 -60.34 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.0 mm -50.56 -50.49 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -47.11 -43.76 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -62.98 -48.89 76.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.7 mt -51.92 -66.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -48.09 -50.75 27.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -41.45 -50.82 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -106.79 92.51 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 20.1 mt -51.27 133.47 28.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.15 126.8 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 23.7 t -86.75 99.24 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 1.9 m -148.06 163.03 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -53.25 -68.89 1.4 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 106.13 1.61 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 20.0 m -110.69 134.58 52.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 27.3 p -133.85 42.5 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 71.1 m -65.59 -52.85 49.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 90.5 p -53.18 141.02 24.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 780' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 781' ' ' SER . . . 156.49 -39.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 781' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 780' ' ' GLY . 97.0 p -34.9 149.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.795 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 1.1 t -171.47 175.17 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -156.59 127.6 2.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -154.84 121.41 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -117.24 171.45 7.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -49.59 -36.3 23.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -82.68 144.68 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 33.1 t -87.42 57.82 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 789' ' ' LYS . 1.7 mmmp? -119.48 -39.78 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.4 t -92.23 -8.34 45.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.04 31.24 4.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -75.67 -51.37 7.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -41.88 -54.93 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -51.23 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -54.14 -58.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -44.42 -50.79 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.4 t -52.72 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 798' ' ' ASP . . . . . 0.561 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -41.18 -55.69 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.561 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 20.2 t80 -41.52 -59.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.59 -55.47 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -41.13 -59.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 57.3 tp -50.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.549 ' HB3' HD11 ' A' ' 808' ' ' LEU . 33.8 mt -41.6 -64.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -47.43 -44.49 24.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -57.08 -28.27 62.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.8 m-70 -81.09 37.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.4 t-80 31.93 55.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 803' ' ' LEU . 93.3 mt -46.63 153.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 809' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.6 OUTLIER -134.7 172.41 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 2.6 t -68.35 -28.25 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -106.03 29.19 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 10.5 t -65.4 125.13 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -93.91 142.36 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.485 ' CZ2' ' HB3' ' A' ' 836' ' ' ARG . 28.1 t-105 -69.71 -46.92 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t -52.66 -43.61 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -71.29 -62.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -46.32 -38.52 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 818' ' ' LYS . . . . . 0.431 ' HA ' HG22 ' A' ' 821' ' ' VAL . 18.7 tttt -69.37 -44.06 72.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.73 -12.63 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -96.57 -35.57 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 817' ' ' VAL . 18.8 m -84.24 -30.13 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -41.39 -24.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 821' ' ' VAL . 64.2 m -85.07 22.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.3 t70 -133.37 139.87 35.37 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.858 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.8 Cg_endo -69.75 -30.94 21.53 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -60.4 -34.93 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -63.29 -25.96 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -74.71 -26.12 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -45.66 -42.38 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.49 135.06 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.53 -54.17 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 t -70.81 131.6 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 9.2 t -66.44 -39.72 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 97.6 p -51.11 -39.2 55.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.5 mmm -62.94 -49.8 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.485 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 20.8 mtt85 -53.45 -49.98 66.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.41 -52.56 45.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.1 -64.71 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.3 mt -44.77 -50.08 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -58.84 -62.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -49.34 -36.62 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -58.27 -57.71 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -52.43 -57.14 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.9 mm -51.7 -51.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.28 -45.35 23.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -60.45 -47.2 87.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 75.4 mt -54.42 -64.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -53.26 -42.4 66.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -84.27 42.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -122.1 43.19 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 40.2 mt -97.27 171.13 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -76.6 140.35 40.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 27.0 p -134.06 139.88 46.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 11.0 t -104.75 42.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 132.62 71.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 110.93 2.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.33 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 4.8 m -64.49 -53.67 44.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 5.9 m -100.15 151.58 21.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 23.7 t -139.8 140.67 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 64.9 m -102.84 48.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 174.61 59.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 90.6 p -138.11 115.48 11.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 82.1 p -129.66 116.02 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 70.84 56.21 7.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -152.64 133.27 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 785' ' ' LYS . 0.0 OUTLIER -105.51 38.68 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -121.67 113.71 20.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -119.69 94.13 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 789' ' ' LYS . 19.7 m -85.0 -44.7 12.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 789' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 788' ' ' SER . 8.5 mmmm -37.34 -48.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 790' ' ' THR . 9.9 t -138.54 119.19 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 791' ' ' ARG . . . . . 0.753 ' NH1' HD11 ' A' ' 795' ' ' ILE . 3.7 tpm_? -122.3 -54.41 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -56.83 -51.04 59.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.73 -53.28 59.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -46.09 -51.41 13.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.753 HD11 ' NH1' ' A' ' 791' ' ' ARG . 50.8 mt -56.23 -48.77 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -54.5 -54.77 36.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.2 t -56.83 -56.58 19.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.75 -45.08 63.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.4 t80 -51.85 -53.51 39.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -53.18 -52.99 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -45.16 -51.78 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 821' ' ' VAL . 53.5 tp -55.12 -64.04 0.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.623 ' HB3' HD11 ' A' ' 808' ' ' LEU . 36.2 mt -43.48 -63.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 12.2 t -46.68 -48.05 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -54.11 -29.73 45.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.476 ' O ' ' C ' ' A' ' 807' ' ' HIS . 45.2 m-70 -80.81 38.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 807' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.6 m80 31.01 54.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 803' ' ' LEU . 56.2 mt -43.54 164.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.8 OUTLIER -146.34 172.25 13.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.3 p -67.82 -46.28 72.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -90.86 29.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' SER . . . . . 0.47 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.7 t -66.75 120.21 13.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -88.25 134.38 33.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' TRP . . . . . 0.44 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 23.7 t-105 -59.57 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 67.0 m -43.33 -44.45 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -70.25 -64.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 817' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.84 -27.67 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.32 -48.51 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.82 -14.43 63.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -92.1 -39.56 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 821' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 817' ' ' VAL . 12.5 m -83.29 -28.93 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 823' ' ' SER . 6.3 pt-20 -48.37 -35.14 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 823' ' ' SER . . . . . 0.486 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 1.4 t -53.2 -30.51 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.447 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -87.85 140.34 31.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 825' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.8 -19.28 36.16 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -66.02 -32.5 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 827' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 821' ' ' VAL . 2.0 t80 -70.61 -15.15 62.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.17 -10.46 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' ' 795' ' ' ILE . . . -65.89 -40.46 91.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 795' ' ' ILE . 92.7 t -77.32 102.14 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -76.67 -40.3 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 832' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 835' ' ' MET . 70.9 m -72.69 117.54 14.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 78.6 p -61.13 -40.8 95.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 54.3 p -55.91 -35.07 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 835' ' ' MET . . . . . 0.474 ' CG ' ' HB2' ' A' ' 832' ' ' SER . 89.4 mmm -62.69 -44.65 95.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 836' ' ' ARG . . . . . 0.412 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.8 mtm180 -63.43 -55.97 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.64 -50.25 72.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.79 -59.51 5.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 73.1 mt -50.32 -56.99 8.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -54.91 -59.79 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -48.75 -41.81 33.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.78 -53.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' A' ' 847' ' ' ILE . 10.3 t80 -54.82 -56.56 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.21 -49.91 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.13 -45.33 32.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.53 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 843' ' ' TYR . 81.6 mt -56.55 -64.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -50.29 -46.59 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -54.87 -53.33 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -83.13 84.14 7.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.84 137.74 57.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -87.87 -56.01 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 12.9 t -50.33 153.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.806 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 17.6 m -155.43 118.91 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -164.54 -102.55 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.434 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.03 28.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.248 . . . . 0.0 112.358 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 70.6 m -56.5 137.32 53.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 83.2 p -94.15 120.3 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.44 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.933 0.397 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 6.4 ptmm? -53.56 -42.15 67.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.439 ' N ' ' HG3' ' A' ' 794' ' ' LYS . 98.8 mt -58.83 -39.42 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -64.2 -48.87 74.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.9 t -55.47 -49.3 72.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -56.34 -45.42 80.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -52.58 -59.41 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -52.12 -53.68 39.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 16.1 mt-10 -42.69 -56.76 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.442 HD13 HH21 ' A' ' 826' ' ' ARG . 35.5 tp -53.35 -66.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.695 ' HB3' HD11 ' A' ' 808' ' ' LEU . 25.6 mt -41.06 -60.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 50.4 p -52.19 -43.5 64.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.1 m-20 -57.11 -27.14 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.59 30.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.9 m170 33.81 54.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 803' ' ' LEU . 51.6 mt -42.75 148.6 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.05 153.63 51.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.1 p -47.67 -38.27 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.74 26.92 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 m -65.57 138.69 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.27 120.92 32.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.404 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 27.8 t-105 -44.28 -51.07 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.0 p -50.29 -40.37 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -73.62 -61.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.911 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.77 -33.35 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.523 ' HA ' HG22 ' A' ' 821' ' ' VAL . 22.1 ttpp -72.78 -45.08 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.11 -14.64 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -99.38 -40.11 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 817' ' ' VAL . 22.6 m -76.9 -29.59 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.94 -43.18 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 15.7 t -54.17 -30.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -83.96 140.03 40.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.623 0.725 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.9 Cg_endo -69.72 -24.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.442 HH21 HD13 ' A' ' 802' ' ' LEU . 85.2 mtm-85 -59.22 -40.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.37 -27.21 68.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -72.81 -23.19 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.19 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.09 116.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.2 -41.46 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.6 t -74.08 123.45 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.9 m -66.08 -48.65 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.4 m -43.36 -44.3 5.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . 0.42 ' O ' ' CG ' ' A' ' 839' ' ' LEU . 70.3 mmm -60.17 -38.19 82.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.404 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.0 mtt180 -64.48 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -53.96 -50.0 67.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -58.12 -59.67 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.42 ' CG ' ' O ' ' A' ' 835' ' ' MET . 54.5 mt -53.11 -60.28 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . 0.4 ' CE1' HG11 ' A' ' 817' ' ' VAL . 70.4 t80 -50.72 -52.39 40.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -56.51 -42.29 78.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -54.87 -58.94 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.458 ' CE1' HD11 ' A' ' 847' ' ' ILE . 6.4 t80 -52.46 -57.19 10.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.614 ' CD1' HD13 ' A' ' 808' ' ' LEU . 32.6 mm -52.68 -44.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.184 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.65 -44.55 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -62.41 -46.28 89.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 843' ' ' TYR . 64.5 mt -55.56 -64.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.797 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.939 0.399 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -48.45 -60.28 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 18.9 mt -44.44 -52.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -54.36 -49.38 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.8 t -51.87 -54.94 23.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -57.02 -40.9 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 803' ' ' LEU . 16.7 t80 -56.44 -56.66 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.2 -45.68 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.95 -55.08 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.87 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' ' 808' ' ' LEU . 24.9 mt -39.99 -60.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 11.2 t -52.79 -44.91 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -54.77 -26.76 36.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 807' ' ' HIS . 15.4 m-70 -82.86 33.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.2 p80 33.41 54.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.659 HD13 ' CD1' ' A' ' 844' ' ' ILE . 33.4 mt -43.86 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 812' ' ' SER . 1.0 OUTLIER -147.08 168.88 20.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 56.2 p -64.17 -36.4 83.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -87.7 18.1 4.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.0 m -61.91 130.78 47.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -113.15 149.25 33.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 815' ' ' SER . 29.8 t-105 -66.34 -69.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 814' ' ' TRP . 50.0 m -35.07 -39.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.41 -64.1 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.6 OUTLIER -47.39 -28.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' A' ' 821' ' ' VAL . 27.8 tttp -76.0 -48.32 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.53 -16.69 64.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -92.8 -41.45 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 817' ' ' VAL . 35.0 m -77.66 -31.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -39.1 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 821' ' ' VAL . 2.2 t -84.67 27.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -136.07 139.86 31.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.78 -31.48 20.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -58.78 -35.37 72.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 836' ' ' ARG . 14.2 t80 -64.02 -30.86 71.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -51.79 -49.13 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.53 129.99 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -88.03 -50.08 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 4.4 m -74.13 148.53 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.5 m -82.83 -48.29 10.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 55.2 m -45.11 -43.25 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.26 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.521 ' HD3' ' CE2' ' A' ' 827' ' ' TYR . 5.4 mtt85 -55.38 -56.84 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.94 -54.8 40.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -51.58 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.6 -55.31 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.1 -60.28 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -47.28 -45.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -51.23 -59.18 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.415 ' CD1' HD12 ' A' ' 808' ' ' LEU . 9.3 t80 -50.88 -55.69 15.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.659 ' CD1' HD13 ' A' ' 808' ' ' LEU . 9.6 mm -51.41 -50.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.08 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -48.94 -45.38 41.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.45 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -48.44 -58.1 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.822 HG23 ' HB1' ' A' ' 829' ' ' ALA . 77.4 mt -47.1 -46.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.48 -60.09 4.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.5 t -43.47 -55.41 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 -53.3 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 803' ' ' LEU . 17.7 t80 -49.0 -57.79 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -52.41 -50.84 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.34 -56.98 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.552 HD21 ' HB ' ' A' ' 821' ' ' VAL . 40.2 tp -53.21 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.832 ' HB3' HD11 ' A' ' 808' ' ' LEU . 39.4 mt -43.35 -63.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 92.8 p -48.67 -46.41 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -56.6 -26.84 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -84.11 30.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.9 m170 34.46 55.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 803' ' ' LEU . 68.1 mt -43.24 164.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.73 175.69 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 13.8 t -71.52 -40.81 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -85.78 30.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.8 p -65.58 124.18 21.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 814' ' ' TRP . 2.3 mmp_? -103.32 106.09 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.45 ' C ' ' O ' ' A' ' 813' ' ' ARG . 29.5 t-105 -34.3 -61.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.5 p -40.62 -41.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 813' ' ' ARG . 12.9 mmtm -72.54 -63.95 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.4 OUTLIER -47.79 -26.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.43 ' HA ' HG22 ' A' ' 821' ' ' VAL . 23.8 tttt -79.8 -41.18 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . 0.415 ' C ' ' HG2' ' A' ' 822' ' ' GLU . 4.3 t70 -71.42 -17.23 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -91.79 -39.95 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 817' ' ' VAL . 35.5 m -80.1 -35.32 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 819' ' ' ASP . 10.4 pt-20 -39.29 -27.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 821' ' ' VAL . 1.3 t -84.69 25.98 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.9 t70 -136.52 139.95 30.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.78 21.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -59.97 -35.29 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 2.1 t80 -62.5 -29.21 70.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -71.06 -26.15 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.822 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -43.2 -44.62 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 836' ' ' ARG . 60.1 t -78.18 115.16 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.5 -47.18 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 72.4 m -72.01 110.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 7.2 m -46.24 -41.87 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 835' ' ' MET . 15.8 m -50.96 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 834' ' ' SER . 96.9 mmm -34.41 -48.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.524 ' HG3' HG11 ' A' ' 830' ' ' VAL . 49.8 mtm180 -59.13 -56.65 19.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.43 -54.54 45.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.57 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.22 -57.87 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -49.24 -55.64 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -53.59 -47.03 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -51.44 -64.92 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.431 ' CE1' HD11 ' A' ' 847' ' ' ILE . 4.5 t80 -42.73 -58.42 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 19.3 mm -52.6 -53.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -43.06 -44.32 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -65.06 -47.0 78.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.431 HD11 ' CE1' ' A' ' 843' ' ' TYR . 85.2 mt -52.68 -65.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 19.6 ptmt -55.45 -52.67 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.658 ' CG2' HG22 ' A' ' 830' ' ' VAL . 4.3 mp -46.59 -51.83 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -47.38 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.5 t -53.13 -56.46 16.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . 0.565 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -58.2 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.565 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 12.1 t80 -39.64 -49.61 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -62.69 -46.62 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 0.1 OUTLIER -50.18 -47.68 54.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.588 HD21 ' HB ' ' A' ' 821' ' ' VAL . 16.7 tp -61.19 -60.69 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.82 ' HB3' HD11 ' A' ' 808' ' ' LEU . 35.0 mt -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 843' ' ' TYR . 95.5 p -51.55 -32.18 27.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 12.7 m-20 -75.22 -22.61 57.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.438 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.9 m170 -84.21 32.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 806' ' ' HIS . 1.6 t-80 34.59 54.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 803' ' ' LEU . 25.5 mt -48.75 168.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 810' ' ' SER . 0.9 OUTLIER -151.92 160.8 43.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 89.6 p -55.69 -42.11 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -88.36 30.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 32.4 m -83.78 125.36 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -98.58 149.07 23.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.531 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 40.5 t-105 -63.39 -69.11 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.3 t -33.78 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 814' ' ' TRP . 34.7 mmtt -74.34 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 821' ' ' VAL . 1.0 OUTLIER -53.86 -43.73 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.55 ' HA ' HG22 ' A' ' 821' ' ' VAL . 3.4 ptmm? -68.42 -36.05 78.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -80.79 -32.27 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 817' ' ' VAL . 34.1 m -82.52 -29.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 821' ' ' VAL . 8.5 pt-20 -36.38 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 27.6 m -84.19 30.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.2 t70 -140.09 139.99 22.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.75 -26.38 27.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -64.11 -31.47 72.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.86 -22.53 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -79.29 -16.36 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.62 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.658 HG22 ' CG2' ' A' ' 795' ' ' ILE . 13.5 t -75.82 137.45 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -113.25 -34.31 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m -81.28 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 79.0 p -53.99 -45.37 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.2 t -46.12 -41.81 12.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 76.1 mmm -69.09 -38.75 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.512 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 4.4 mmt85 -54.17 -57.23 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -55.66 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -47.57 -59.33 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.53 -55.58 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 814' ' ' TRP . 50.9 t80 -53.01 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -49.24 -41.96 39.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.8 -58.69 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 808' ' ' LEU . 17.1 t80 -50.73 -56.0 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.567 ' CD1' HD13 ' A' ' 808' ' ' LEU . 5.0 mm -48.71 -52.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -49.87 -41.92 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -62.84 -39.54 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -62.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -57.97 -60.22 4.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 795' ' ' ILE . 5.0 mp -55.1 -39.9 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -57.57 -47.55 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 61.6 p -64.57 -52.95 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.18 -50.41 64.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.78 -52.39 60.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -54.46 -51.28 65.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.0 -59.17 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.468 HD21 HG12 ' A' ' 821' ' ' VAL . 51.0 tp -49.52 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 808' ' ' LEU . 23.3 mt -43.01 -65.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 54.8 p -47.68 -45.44 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.61 -26.49 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 10.2 m-70 -83.57 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 28.6 m80 33.19 54.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 803' ' ' LEU . 75.2 mt -44.94 163.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.71 179.51 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 90.0 p -76.58 -30.07 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -95.91 26.59 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.2 m -73.18 130.11 39.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -111.48 140.67 45.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 815' ' ' SER . 31.7 t-105 -54.54 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 814' ' ' TRP . 25.6 m -34.27 -41.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.3 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.61 -27.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.405 ' HA ' HG22 ' A' ' 821' ' ' VAL . 12.4 tttt -75.01 -48.14 25.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.31 -22.74 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -83.41 -42.48 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.6 m -76.94 -29.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.43 -28.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 58.0 p -86.96 26.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.0 t70 -135.34 140.18 33.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.78 -31.69 19.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -59.5 -30.31 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.592 ' CZ ' ' NH1' ' A' ' 836' ' ' ARG . 3.1 t80 -70.98 -12.96 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -86.88 1.84 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -74.71 -54.71 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.589 HG11 ' HG2' ' A' ' 836' ' ' ARG . 9.0 t -59.98 149.27 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -112.49 -54.06 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.5 t -77.05 148.83 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 35.7 p -80.58 -40.32 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.2 p -54.8 -43.44 72.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 91.3 mmm -56.16 -36.78 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.592 ' NH1' ' CZ ' ' A' ' 827' ' ' TYR . 7.0 mtp180 -68.28 -59.99 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 841' ' ' LYS . 0.7 OUTLIER -51.22 -39.06 55.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.14 -56.4 6.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -60.37 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -50.86 -54.88 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 837' ' ' GLU . 40.8 mtpt -52.85 -45.7 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.14 -54.24 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 808' ' ' LEU . 12.0 t80 -54.99 -58.31 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 36.4 mm -51.02 -47.26 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -51.07 -45.22 61.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.29 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.42 -63.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 179.813 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.922 0.392 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -66.77 -60.56 2.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.9 mt -44.94 -33.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -73.26 -53.41 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 32.2 t -53.32 -44.22 68.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.62 -53.6 52.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' A' ' 839' ' ' LEU . 17.5 t80 -46.42 -50.2 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -38.06 -51.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' ' 821' ' ' VAL . 53.9 tp -56.97 -62.72 1.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 808' ' ' LEU . 82.9 mt -43.33 -62.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 79.4 p -49.66 -40.32 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 77.8 m-20 -63.74 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.832 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.5 m-70 -82.35 36.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 806' ' ' HIS . 12.5 t60 32.96 55.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 803' ' ' LEU . 41.0 mt -46.31 168.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.74 177.1 11.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 80.6 p -68.36 -50.96 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -84.5 30.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 t -75.55 121.11 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -97.6 148.18 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.464 ' CE2' ' HD2' ' A' ' 818' ' ' LYS . 29.4 t-105 -61.96 -69.01 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 814' ' ' TRP . 43.5 m -36.39 -35.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -73.63 -57.96 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.845 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -53.6 -43.03 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.733 ' HA ' HG22 ' A' ' 821' ' ' VAL . 9.0 ptmt -70.97 -32.36 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 815' ' ' SER . 5.5 m-20 -71.08 -23.0 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -93.7 -35.83 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 817' ' ' VAL . 10.8 m -77.08 -29.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 821' ' ' VAL . 9.5 pt-20 -35.95 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 821' ' ' VAL . 38.0 p -83.73 29.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.0 t70 -136.6 140.03 31.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.73 -27.81 26.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.4 -29.55 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -69.26 -21.71 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -84.33 -10.35 57.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.81 93.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.404 ' CG1' ' HG3' ' A' ' 836' ' ' ARG . 46.1 t -82.99 120.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.31 -44.84 7.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.4 t -70.36 116.06 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 95.7 p -57.07 -49.81 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 34.9 m -44.92 -41.38 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 84.8 mmm -63.41 -49.04 75.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.404 ' HG3' ' CG1' ' A' ' 830' ' ' VAL . 66.0 mtm180 -55.86 -48.54 75.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.74 -55.99 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.0 -57.85 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 799' ' ' PHE . 67.9 mt -46.91 -59.86 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -50.95 -59.07 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -48.25 -45.44 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -54.53 -56.26 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 808' ' ' LEU . 10.7 t80 -54.64 -58.27 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.546 ' CD1' HD13 ' A' ' 808' ' ' LEU . 8.2 mm -50.07 -55.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -44.92 -47.28 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.79 -46.72 84.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.422 HD11 ' CE1' ' A' ' 843' ' ' TYR . 72.0 mt -56.02 -65.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.911 0.386 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -64.32 -49.9 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.445 HG22 HG22 ' A' ' 830' ' ' VAL . 27.7 mt -61.54 -44.43 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . 0.403 ' HG3' HD21 ' A' ' 839' ' ' LEU . 21.9 ttpt -55.86 -52.04 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.3 t -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.07 -61.23 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -41.39 -59.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -50.18 -56.69 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -41.2 -51.09 3.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.583 HD21 ' HB ' ' A' ' 821' ' ' VAL . 36.9 tp -57.65 -62.14 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.767 ' HB3' HD11 ' A' ' 808' ' ' LEU . 46.7 mt -42.84 -62.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 15.1 t -48.34 -43.02 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -61.57 -25.53 67.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.0 m-70 -82.61 33.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 806' ' ' HIS . 39.2 m80 34.34 54.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 803' ' ' LEU . 25.7 mt -46.8 174.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -158.43 178.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 50.5 m -74.61 -37.29 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -93.2 29.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.8 m -90.02 123.5 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -95.51 170.35 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.503 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.3 t-105 -75.33 -69.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 814' ' ' TRP . 18.5 m -36.11 -34.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 814' ' ' TRP . 16.5 mmtm -74.66 -59.18 2.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -51.82 -41.61 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.65 ' HA ' HG22 ' A' ' 821' ' ' VAL . 3.4 ptmm? -70.46 -36.89 74.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.3 -26.96 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -85.83 -36.97 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 818' ' ' LYS . 17.4 m -80.96 -28.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 821' ' ' VAL . 1.3 pp20? -36.5 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 821' ' ' VAL . 11.6 t -83.24 28.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -135.79 140.4 33.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -29.31 23.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.44 -34.11 77.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.23 -21.72 66.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -80.98 -22.89 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -52.56 -50.36 63.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 795' ' ' ILE . 40.3 t -69.04 119.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -92.57 -43.42 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 130.69 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 82.9 p -70.72 -45.48 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.2 t -49.28 -45.24 44.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 82.3 mmm -57.97 -45.86 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 86.7 mtt180 -55.34 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -54.65 -60.46 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . 0.477 ' OD1' ' NE2' ' A' ' 842' ' ' GLN . 3.5 t70 -45.45 -58.67 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.403 HD21 ' HG3' ' A' ' 796' ' ' LYS . 63.7 mt -50.03 -54.13 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.96 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -47.21 -38.38 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 838' ' ' ASP . 34.0 mt-30 -62.23 -54.71 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.448 ' CD1' HD11 ' A' ' 847' ' ' ILE . 12.0 t80 -54.62 -54.36 42.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.75 ' CD1' HD13 ' A' ' 808' ' ' LEU . 4.8 mm -53.72 -54.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -46.36 -42.35 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.67 -47.16 82.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.448 HD11 ' CD1' ' A' ' 843' ' ' TYR . 65.9 mt -54.3 -64.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.779 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.56 -52.83 27.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -58.21 -44.78 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -57.6 -44.99 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.7 t -59.79 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.19 -52.22 59.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.0 t80 -51.85 -54.69 26.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -55.47 -46.58 76.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.4 -58.97 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.551 HD21 ' HB ' ' A' ' 821' ' ' VAL . 19.5 tp -52.68 -59.28 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.592 ' HB3' HD11 ' A' ' 808' ' ' LEU . 53.1 mt -43.27 -64.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 52.7 p -48.04 -42.59 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.59 -27.23 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.492 ' CE1' HG12 ' A' ' 821' ' ' VAL . 10.2 m-70 -81.24 38.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.0 t60 32.93 54.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 803' ' ' LEU . 30.2 mt -46.51 156.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.2 p-10 -134.01 176.14 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 25.1 p -70.8 -44.63 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -94.33 29.5 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . 0.403 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 7.6 t -67.83 124.07 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -95.24 143.17 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.472 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 28.6 t-105 -64.92 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 814' ' ' TRP . 8.7 t -34.93 -43.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -70.1 -64.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.781 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.48 -26.71 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 821' ' ' VAL . 17.8 ttpp -76.42 -44.28 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 819' ' ' ASP . 0.3 OUTLIER -68.52 -22.53 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -89.59 -39.4 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 817' ' ' VAL . 31.8 m -76.99 -30.19 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -38.93 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.2 t -85.07 29.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.7 t70 -132.03 139.81 36.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.82 -31.27 20.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -61.5 -37.01 82.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 3.0 t80 -62.05 -23.49 66.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -77.92 -27.38 49.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -53.14 -42.54 66.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.54 123.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.07 -44.01 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.4 m -70.06 105.96 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 71.9 m -49.87 -48.0 51.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.8 m -43.92 -44.34 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 71.2 mmm -58.82 -42.56 89.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -59.94 -53.21 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -62.39 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -49.16 -61.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.2 mt -46.03 -60.84 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -48.25 -57.77 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -49.46 -48.92 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.11 -60.27 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.436 ' CE1' HD11 ' A' ' 847' ' ' ILE . 2.8 t80 -47.54 -54.6 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.5 mm -54.86 -47.68 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.43 -41.95 41.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -65.7 -46.99 76.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 843' ' ' TYR . 92.9 mt -54.11 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.822 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -54.35 -58.75 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.7 mt -45.35 -43.72 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -62.5 -60.13 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 16.7 t -41.88 -57.59 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.48 -42.93 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 803' ' ' LEU . 11.7 t80 -54.36 -60.34 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.79 -52.92 45.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.79 -52.03 6.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.468 HD13 ' NH2' ' A' ' 826' ' ' ARG . 58.6 tp -59.45 -59.74 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 799' ' ' PHE . 83.7 mt -44.76 -59.51 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -50.75 -41.92 57.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.36 -25.57 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.806 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.3 m-70 -81.08 36.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.475 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.6 t-80 32.16 55.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 843' ' ' TYR . 95.3 mt -45.68 170.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -156.85 -179.97 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.5 p -69.24 -55.74 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.72 22.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 5.6 p -51.45 119.96 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -88.9 135.11 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 815' ' ' SER . 39.3 t-105 -67.55 -68.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.7 t -33.43 -41.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -63.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.875 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -29.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.539 ' HA ' HG22 ' A' ' 821' ' ' VAL . 22.8 ttpp -76.12 -41.76 49.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.45 -14.12 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -100.18 -35.61 9.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.8 m -80.92 -29.18 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -48.64 -36.01 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.5 t -54.07 -30.32 47.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.442 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.6 t70 -86.93 140.18 32.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.4 Cg_endo -69.79 -27.84 25.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.468 ' NH2' HD13 ' A' ' 802' ' ' LEU . 85.2 mtm180 -58.08 -37.21 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -60.87 -32.5 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -68.46 -22.88 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.26 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.28 96.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.21 -40.16 71.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 35.8 t -70.84 119.38 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.0 m -65.07 -44.35 89.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 20.3 m -48.41 -41.32 28.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 69.3 mmm -61.56 -41.19 97.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.92 -57.56 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . 0.428 ' O ' ' CD ' ' A' ' 841' ' ' LYS . 13.2 mt-10 -61.63 -48.27 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.21 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 62.0 mt -48.74 -59.53 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . 0.41 ' HD1' HD22 ' A' ' 803' ' ' LEU . 75.4 t80 -47.5 -55.91 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 837' ' ' GLU . 18.1 mtpp -53.83 -50.3 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -48.48 -57.02 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 808' ' ' LEU . 14.2 t80 -52.77 -56.56 14.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.434 HD11 HD22 ' A' ' 808' ' ' LEU . 21.8 mm -51.6 -46.19 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -52.17 -45.69 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.4 -43.96 96.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 843' ' ' TYR . 55.0 mt -59.72 -61.94 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.832 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.01 -54.36 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 26.5 mt -53.81 -53.88 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 839' ' ' LEU . 12.6 ttpp -51.14 -39.21 55.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 40.6 t -59.96 -53.77 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.45 -46.67 63.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -53.49 -54.25 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -54.28 -47.17 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.29 -57.04 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.71 HD21 ' HB ' ' A' ' 821' ' ' VAL . 35.0 tp -52.7 -61.43 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.908 ' HB3' HD11 ' A' ' 808' ' ' LEU . 48.2 mt -42.45 -64.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 33.4 p -47.32 -43.5 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -83.33 33.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.6 t-80 33.91 54.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 803' ' ' LEU . 31.1 mt -44.86 157.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.7 p-10 -136.17 166.8 22.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.9 p -60.35 -49.36 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -87.66 30.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 25.4 t -63.15 122.58 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -94.11 123.94 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.572 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 25.2 t-105 -50.59 -54.24 24.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.6 t -46.51 -38.98 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -74.96 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.453 HG11 ' CE1' ' A' ' 840' ' ' PHE . 0.6 OUTLIER -47.76 -31.19 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 18.0 ttpp -74.64 -49.35 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.86 -13.3 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -92.68 -36.23 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.71 ' HB ' HD21 ' A' ' 802' ' ' LEU . 34.4 m -85.84 -29.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -38.84 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 22.8 t -85.23 29.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.7 t70 -137.71 139.72 27.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.74 -32.08 19.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -61.37 -32.58 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.1 t80 -66.85 -23.08 65.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -73.82 -20.78 60.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.46 -51.83 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.35 113.69 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -82.14 -51.22 8.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 t -72.82 136.99 45.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 45.9 m -73.65 -41.71 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.1 m -48.48 -41.79 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 86.2 mmm -59.93 -45.62 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.572 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 84.1 mtm-85 -55.72 -50.81 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -63.55 -60.24 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -47.4 -61.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 796' ' ' LYS . 83.6 mt -48.31 -60.69 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . 0.453 ' CE1' HG11 ' A' ' 817' ' ' VAL . 66.7 t80 -44.6 -54.22 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.24 -45.62 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -52.96 -58.73 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.466 ' CD1' HD12 ' A' ' 808' ' ' LEU . 13.6 t80 -51.96 -59.83 3.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 40.3 mm -50.98 -43.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.25 -43.66 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -62.98 -47.58 82.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.0 mt -53.36 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.71 -52.19 60.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.682 HG23 ' HB1' ' A' ' 829' ' ' ALA . 40.2 mt -48.02 -42.81 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -62.19 -55.99 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 15.0 t -48.9 -55.18 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -51.2 -47.57 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.2 t80 -49.79 -56.89 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.41 -53.97 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.427 ' O ' ' ND2' ' A' ' 805' ' ' ASN . 37.2 mt-10 -40.59 -59.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.607 HD21 ' HB ' ' A' ' 821' ' ' VAL . 44.0 tp -54.71 -60.43 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 799' ' ' PHE . 93.9 mt -40.23 -55.4 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 28.0 p -55.26 -43.41 74.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 801' ' ' GLU . 2.2 m-80 -59.16 -24.26 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.57 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.9 m-70 -81.43 35.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 806' ' ' HIS . 4.8 m170 31.82 55.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 843' ' ' TYR . 76.0 mt -43.97 168.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -158.12 161.8 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 46.3 p -63.61 -14.82 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -118.8 27.29 8.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.1 t -74.78 124.39 26.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -92.14 152.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 23.6 t-105 -71.62 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 m -39.59 -40.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -72.84 -63.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -28.57 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.422 ' HA ' HG22 ' A' ' 821' ' ' VAL . 28.0 ttpt -75.52 -47.63 26.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -65.5 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -89.66 -40.31 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.607 ' HB ' HD21 ' A' ' 802' ' ' LEU . 29.2 m -78.81 -29.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -39.1 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.1 t -85.05 26.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.7 t70 -138.31 139.93 26.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.1 Cg_endo -69.75 -31.71 20.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -59.44 -38.26 80.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.41 ' CD2' ' CG2' ' A' ' 821' ' ' VAL . 8.2 t80 -60.14 -27.63 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -73.55 -29.43 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.682 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -43.01 -46.19 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.87 130.07 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -104.96 -44.14 4.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 29.5 t -72.48 114.07 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.4 m -52.47 -44.89 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 3.2 t -47.68 -46.53 29.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.71 -38.2 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.49 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 90.2 mtt180 -66.06 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.54 -47.8 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.08 -64.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.9 mt -49.49 -57.52 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -49.78 -59.97 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -49.74 -50.51 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -45.81 -55.37 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 808' ' ' LEU . 12.6 t80 -52.98 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.7 mm -49.13 -54.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -44.3 -48.03 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.61 -48.17 80.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 843' ' ' TYR . 66.4 mt -54.69 -65.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.776 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.388 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -53.88 -56.98 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.549 HG23 ' HB1' ' A' ' 829' ' ' ALA . 17.4 mt -46.58 -42.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -60.82 -54.0 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 68.2 m -52.29 -55.31 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.03 -51.38 31.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 803' ' ' LEU . 19.2 t80 -49.76 -56.33 10.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -50.14 -50.43 48.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.59 -59.19 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.42 HD13 HH21 ' A' ' 826' ' ' ARG . 41.8 tp -49.5 -65.02 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.914 ' HB3' HD11 ' A' ' 808' ' ' LEU . 37.3 mt -40.88 -64.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.3 t -47.21 -44.2 22.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -57.88 -28.73 64.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.27 34.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 56.4 m-70 33.25 55.0 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.914 HD11 ' HB3' ' A' ' 803' ' ' LEU . 42.5 mt -44.25 159.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -137.33 164.22 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 71.2 m -62.69 -38.38 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.61 29.93 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 10.1 t -69.28 130.65 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.31 139.19 34.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.453 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.3 t-105 -63.02 -55.68 23.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -44.17 -40.69 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -73.1 -63.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.6 OUTLIER -47.65 -29.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 821' ' ' VAL . 28.8 ttpt -75.07 -48.33 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -22.33 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -85.99 -41.94 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 817' ' ' VAL . 26.8 m -77.17 -29.94 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.8 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 821' ' ' VAL . 50.3 m -84.87 26.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.6 t70 -135.96 139.86 31.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.75 -28.17 25.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . 0.42 HH21 HD13 ' A' ' 802' ' ' LEU . 52.4 mtm-85 -62.12 -35.48 78.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -64.2 -24.52 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -78.39 -21.01 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.549 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -50.63 -54.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 3.9 t -67.83 106.66 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -66.57 -57.11 7.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 127.96 34.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 21.9 m -66.1 -42.19 89.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.0 m -47.83 -45.2 29.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . 0.417 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 79.7 mmm -52.83 -57.27 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.443 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 65.1 mtm180 -51.47 -60.95 2.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -45.91 -44.24 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.35 -65.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 81.5 mt -41.39 -51.62 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.81 -51.23 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.25 -41.02 83.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -56.77 -61.54 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -48.18 -53.63 16.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 808' ' ' LEU . 10.2 mm -56.28 -49.83 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -47.68 -39.66 17.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -67.74 -49.42 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 80.8 mt -51.2 -66.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.794 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.943 0.401 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -46.53 -55.08 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.42 ' CG2' HG22 ' A' ' 830' ' ' VAL . 39.1 mt -55.72 -48.7 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -44.43 81.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.9 t -58.91 -45.97 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.63 -47.84 81.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.752 ' CE2' HD11 ' A' ' 803' ' ' LEU . 27.7 t80 -52.17 -55.73 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . 0.41 ' CZ ' HD22 ' A' ' 839' ' ' LEU . 10.1 m-85 -54.25 -50.86 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -44.35 -53.82 6.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.413 HD21 ' HB ' ' A' ' 821' ' ' VAL . 20.7 tp -57.06 -64.17 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 799' ' ' PHE . 42.2 mt -42.46 -60.21 1.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 93.4 p -52.35 -42.41 63.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 62.7 m-20 -58.85 -25.7 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.6 m-70 -82.14 35.16 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.3 OUTLIER 33.29 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.493 HD12 ' CE1' ' A' ' 843' ' ' TYR . 96.7 mt -44.45 156.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.83 167.55 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 22.7 p -69.76 -10.24 57.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -118.11 29.83 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 7.0 m -77.01 127.1 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -102.89 123.44 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.525 ' CE2' ' HD3' ' A' ' 818' ' ' LYS . 26.6 t-105 -45.74 -68.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 814' ' ' TRP . 61.7 p -34.8 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -70.61 -63.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.4 OUTLIER -49.08 -27.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 19.6 ttpt -73.0 -51.57 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -66.1 -14.92 62.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -91.14 -41.51 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 817' ' ' VAL . 33.8 m -77.52 -29.76 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -38.77 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.8 m -83.54 24.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.8 t70 -133.05 139.97 36.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.71 -31.8 20.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -61.05 -37.92 84.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -62.43 -25.01 67.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -76.66 -26.7 55.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.06 -54.15 17.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.42 HG22 ' CG2' ' A' ' 795' ' ' ILE . 48.2 t -70.89 107.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.9 -43.06 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 24.6 m -71.16 118.92 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 31.1 t -61.05 -49.49 77.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -44.13 -41.74 5.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 81.5 mmm -59.23 -49.19 78.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -60.5 -56.3 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.72 -54.43 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.95 -65.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 800' ' ' PHE . 79.1 mt -44.08 -54.85 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.18 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -46.68 -44.11 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.07 -53.55 51.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.493 ' CE1' HD12 ' A' ' 808' ' ' LEU . 5.7 t80 -52.54 -53.37 47.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.0 mm -57.45 -47.47 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -49.83 -40.42 41.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.25 -53.14 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 77.6 mt -47.2 -64.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.836 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.939 0.4 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -59.52 -67.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.4 ' CG2' HG22 ' A' ' 830' ' ' VAL . 26.9 mt -43.44 -49.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -52.12 -45.1 64.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.5 m -63.86 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -46.94 -47.86 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.586 ' CE2' HD11 ' A' ' 803' ' ' LEU . 19.5 t80 -52.53 -57.67 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 839' ' ' LEU . 19.1 m-85 -54.38 -46.05 72.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -47.18 -56.48 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 14.3 tp -57.46 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.586 HD11 ' CE2' ' A' ' 799' ' ' PHE . 85.8 mt -48.85 -62.52 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 15.2 t -48.62 -40.05 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -62.57 -28.26 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.767 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.3 m170 -76.75 44.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.508 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.6 OUTLIER 29.55 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 843' ' ' TYR . 78.6 mt -49.43 139.0 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -125.4 179.09 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 68.6 p -70.86 -43.06 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -95.35 29.18 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.4 t -63.9 122.64 16.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -94.86 137.83 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 44.6 t-105 -62.83 -66.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 814' ' ' TRP . 21.4 m -33.72 -40.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -70.7 -62.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.79 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -50.12 -28.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.505 ' HA ' HG22 ' A' ' 821' ' ' VAL . 25.6 tttp -74.43 -44.51 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.19 -16.87 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -94.77 -38.71 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 817' ' ' VAL . 30.9 m -77.23 -33.24 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -39.56 -25.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.5 t -84.63 24.73 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.1 t70 -133.7 139.9 35.05 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -30.79 21.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -60.77 -36.85 79.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.4 -27.76 67.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -74.48 -27.54 60.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.36 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.4 HG22 ' CG2' ' A' ' 795' ' ' ILE . 6.3 t -73.37 131.63 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -96.46 -54.79 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 75.5 m -70.72 110.58 5.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 97.2 p -51.85 -39.96 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.0 m -48.43 -38.53 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.0 mmm -64.72 -48.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 799' ' ' PHE . 87.8 mtt180 -52.09 -50.52 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.31 -56.72 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -49.41 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.585 HD22 ' CZ ' ' A' ' 800' ' ' PHE . 60.0 mt -46.91 -50.88 18.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.41 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -45.72 -43.32 12.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -54.93 -57.53 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.617 ' CE1' HD12 ' A' ' 808' ' ' LEU . 11.5 t80 -50.81 -55.44 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 18.7 mm -51.57 -47.25 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.33 -42.7 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -63.36 -46.91 84.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 84.6 mt -53.82 -65.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.958 0.408 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -44.43 -58.4 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.78 -51.42 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -49.16 -43.55 42.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 8.2 t -59.51 -56.81 17.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . 0.553 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -52.87 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.553 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 10.9 t80 -42.51 -61.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -50.35 -55.98 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 29.8 mt-10 -40.57 -58.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.726 HD21 ' HB ' ' A' ' 821' ' ' VAL . 58.2 tp -51.96 -67.19 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 808' ' ' LEU . 59.3 mt -39.18 -60.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 76.6 p -52.76 -40.07 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.8 m-20 -62.0 -24.3 66.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 807' ' ' HIS . 19.8 m-70 -83.85 31.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 806' ' ' HIS . 85.4 m-70 35.31 54.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 843' ' ' TYR . 89.3 mt -43.72 166.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -153.15 162.43 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 86.5 p -59.03 -17.01 21.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -110.12 26.22 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . 0.448 ' OG ' HD12 ' A' ' 844' ' ' ILE . 6.8 p -65.68 122.16 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -102.11 114.1 27.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.415 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 30.0 t-105 -42.92 -54.28 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -47.02 -39.48 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -74.69 -63.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.7 OUTLIER -47.61 -29.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.495 ' HA ' HG22 ' A' ' 821' ' ' VAL . 5.4 ttpm? -76.38 -48.54 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -66.84 -16.1 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -93.58 -40.52 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.726 ' HB ' HD21 ' A' ' 802' ' ' LEU . 31.9 m -77.37 -29.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -38.71 -26.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 4.5 t -83.09 24.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 10.7 t70 -137.25 140.63 31.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.453 ' HA ' ' CE ' ' A' ' 828' ' ' LYS . 53.8 Cg_endo -69.76 -32.99 17.51 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -52.55 -41.96 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.2 t80 -62.52 -36.76 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 825' ' ' PRO . 8.1 mtmt -71.52 -19.68 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.606 HG11 ' HG3' ' A' ' 836' ' ' ARG . 42.2 t -63.16 122.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -93.93 -52.78 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 51.4 m -71.97 120.08 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 86.7 p -61.6 -41.5 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 26.4 t -48.43 -42.85 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 80.0 mmm -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.606 ' HG3' HG11 ' A' ' 830' ' ' VAL . 46.6 mtm180 -55.77 -61.39 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.94 -55.66 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.59 -61.09 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.1 -52.48 34.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.95 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -50.74 -39.17 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -56.52 -55.83 28.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.517 ' CD1' HD12 ' A' ' 808' ' ' LEU . 13.5 t80 -55.9 -54.63 42.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.448 HD12 ' OG ' ' A' ' 812' ' ' SER . 27.9 mm -54.06 -45.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.59 -44.66 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.72 -64.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.782 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.933 0.397 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -54.5 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.425 HG12 ' HB1' ' A' ' 829' ' ' ALA . 18.2 mt -44.27 -45.11 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -60.35 -57.25 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.3 t -53.59 -58.35 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 798' ' ' ASP . 0.7 OUTLIER -48.52 -60.76 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 803' ' ' LEU . 9.6 t80 -38.38 -54.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.17 -51.8 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.22 -65.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 44.4 tp -45.86 -66.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 799' ' ' PHE . 77.0 mt -39.64 -61.34 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 13.6 t -51.82 -40.11 59.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -59.95 -27.15 66.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.488 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.5 m170 -78.76 43.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.488 ' C ' ' O ' ' A' ' 806' ' ' HIS . 93.8 m-70 31.06 55.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 804' ' ' SER . 86.4 mt -50.64 155.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -162.07 176.78 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 37.5 p -59.12 -39.27 81.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -84.65 30.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 69.2 p -76.55 120.48 21.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -106.82 136.62 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.2 t-105 -64.42 -57.77 8.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.6 m -42.24 -44.03 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -71.75 -63.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.782 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.61 -26.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.581 ' HA ' HG22 ' A' ' 821' ' ' VAL . 26.9 tttp -81.11 -40.01 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.98 -18.6 61.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.32 -34.7 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.2 m -79.55 -31.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -44.76 -22.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.2 t -86.1 25.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.7 t70 -135.02 139.82 33.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.522 0.677 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.2 Cg_endo -69.82 -31.84 19.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -63.53 -30.56 71.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.94 -24.75 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.55 -16.56 55.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.425 ' HB1' HG12 ' A' ' 795' ' ' ILE . . . -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 9.6 t -85.76 116.89 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -86.46 -51.53 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.7 t -71.19 115.06 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 39.9 t -56.6 -35.43 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.5 m -54.53 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . 0.439 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 83.7 mmm -66.62 -46.22 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.505 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 78.2 mtt180 -55.55 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.21 -47.8 75.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.36 -65.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 80.6 mt -46.62 -52.36 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -52.08 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -50.52 -44.87 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -50.51 -61.21 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.501 ' CE1' HD11 ' A' ' 847' ' ' ILE . 19.5 t80 -49.4 -60.91 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.95 -50.01 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.06 -50.17 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -55.23 -41.71 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 843' ' ' TYR . 76.1 mt -62.02 -64.06 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.796 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.918 0.389 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -63.55 -55.21 25.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.495 HG22 HG22 ' A' ' 830' ' ' VAL . 58.8 mt -53.01 -52.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -49.45 77.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 7.7 t -55.23 -58.91 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -48.81 -47.26 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 803' ' ' LEU . 22.2 t80 -52.45 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -47.86 -47.29 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -48.04 -61.19 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 47.3 tp -49.89 -62.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.934 ' HB3' HD11 ' A' ' 808' ' ' LEU . 66.9 mt -39.47 -63.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 10.5 p -49.68 -40.19 39.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.09 -26.9 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.7 m-70 -83.69 31.41 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.8 m-70 33.89 54.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 803' ' ' LEU . 72.8 mt -47.28 157.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -143.3 170.56 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.3 p -65.4 -24.62 67.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -101.35 30.18 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 26.3 p -63.15 127.4 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 816' ' ' LYS . 1.1 tpm_? -104.62 100.31 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 813' ' ' ARG . 27.0 t-105 -36.5 -47.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 57.9 m -52.97 -42.69 65.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 813' ' ' ARG . 14.4 mmtp -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.79 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.32 -37.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.406 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 21.9 ttpp -66.88 -47.82 70.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.42 -15.81 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 -36.93 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 817' ' ' VAL . 30.1 m -82.32 -29.84 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -41.39 -25.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 821' ' ' VAL . 70.6 m -83.96 20.92 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.6 t70 -128.97 139.91 37.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.93 21.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -59.67 -35.91 75.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.96 -27.9 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -77.66 -23.33 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.19 55.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 832' ' ' SER . 43.5 t -73.1 92.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.22 -48.78 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . 0.569 ' O ' HG12 ' A' ' 830' ' ' VAL . 1.1 t -72.24 155.45 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 13.6 m -93.64 -42.07 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 12.4 t -48.53 -42.84 34.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . 0.449 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 78.2 mmm -57.47 -47.8 80.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -54.9 -52.35 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.92 -62.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -46.45 -64.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 74.7 mt -47.39 -43.91 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.5 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -51.86 -48.79 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.48 -55.45 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 847' ' ' ILE . 14.9 t80 -53.17 -62.33 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 31.7 mm -48.21 -46.1 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.89 -41.07 64.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -64.85 -44.39 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.2 mt -57.31 -65.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.796 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -52.67 -59.93 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.419 HG23 ' HB1' ' A' ' 829' ' ' ALA . 23.4 mt -49.62 -40.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -62.52 -49.08 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 5.8 m -55.08 -55.0 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.29 -43.22 67.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 803' ' ' LEU . 16.0 t80 -52.74 -60.25 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -51.03 -54.33 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 55.1 mt-10 -43.31 -54.4 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.62 HD21 ' HB ' ' A' ' 821' ' ' VAL . 24.4 tp -55.07 -62.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.455 HD11 ' CE2' ' A' ' 799' ' ' PHE . 48.0 mt -41.16 -62.68 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.977 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 26.4 t -49.26 -39.84 32.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 33.8 m-20 -63.09 -25.62 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.814 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.8 m-70 -81.15 38.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.2 t-160 32.11 54.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 843' ' ' TYR . 75.0 mt -47.47 165.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 810' ' ' SER . 0.7 OUTLIER -157.56 165.72 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 809' ' ' ASP . 81.9 p -59.72 -42.54 93.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -89.97 30.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 35.0 t -72.32 125.4 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 813' ' ' ARG . 5.4 mmm180 -98.21 132.59 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.422 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.2 t-105 -56.65 -61.27 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.5 m -40.19 -39.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -73.42 -64.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.652 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.74 -28.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' ' 821' ' ' VAL . 26.7 ttpt -76.91 -46.04 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -16.71 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -92.81 -31.68 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.814 HG12 ' CE1' ' A' ' 806' ' ' HIS . 34.2 m -89.59 -29.13 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 823' ' ' SER . 20.9 pt-20 -46.16 -45.34 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 21.9 t -48.18 -30.36 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -86.3 140.19 34.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.6 Cg_endo -69.7 -28.81 25.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -56.68 -37.52 70.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.01 -34.48 74.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.26 -26.3 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.419 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -45.11 -58.36 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.442 ' O ' ' NH1' ' A' ' 836' ' ' ARG . 59.9 t -66.24 99.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -75.37 -37.01 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 56.1 m -74.2 118.74 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 37.9 t -62.69 -52.25 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.6 m -42.12 -42.37 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.4 mmm -63.82 -42.35 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 830' ' ' VAL . 82.6 mtm-85 -56.08 -55.68 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.7 -56.49 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.09 -61.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.3 mt -48.52 -58.32 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -50.9 -62.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -47.77 -45.42 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -52.6 -56.94 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.49 ' CE1' HD12 ' A' ' 808' ' ' LEU . 17.5 t80 -51.34 -60.34 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.0 mm -50.56 -50.49 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -47.11 -43.76 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -62.98 -48.89 76.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.7 mt -51.92 -66.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.841 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.918 0.389 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -51.23 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -54.14 -58.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -44.42 -50.79 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.4 t -52.72 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . 0.561 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -41.18 -55.69 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.561 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 20.2 t80 -41.52 -59.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.59 -55.47 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -41.13 -59.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 57.3 tp -50.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.549 ' HB3' HD11 ' A' ' 808' ' ' LEU . 33.8 mt -41.6 -64.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -47.43 -44.49 24.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -57.08 -28.27 62.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.8 m-70 -81.09 37.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.4 t-80 31.93 55.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 803' ' ' LEU . 93.3 mt -46.63 153.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.6 OUTLIER -134.7 172.41 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 2.6 t -68.35 -28.25 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -106.03 29.19 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 10.5 t -65.4 125.13 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -93.91 142.36 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.485 ' CZ2' ' HB3' ' A' ' 836' ' ' ARG . 28.1 t-105 -69.71 -46.92 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t -52.66 -43.61 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -71.29 -62.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -46.32 -38.52 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . 0.431 ' HA ' HG22 ' A' ' 821' ' ' VAL . 18.7 tttt -69.37 -44.06 72.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.73 -12.63 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -96.57 -35.57 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 817' ' ' VAL . 18.8 m -84.24 -30.13 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -41.39 -24.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 821' ' ' VAL . 64.2 m -85.07 22.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.3 t70 -133.37 139.87 35.37 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.858 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.8 Cg_endo -69.75 -30.94 21.53 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -60.4 -34.93 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -63.29 -25.96 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -74.71 -26.12 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -45.66 -42.38 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.49 135.06 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.53 -54.17 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 t -70.81 131.6 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 9.2 t -66.44 -39.72 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 97.6 p -51.11 -39.2 55.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.5 mmm -62.94 -49.8 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.485 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 20.8 mtt85 -53.45 -49.98 66.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.41 -52.56 45.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.1 -64.71 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.3 mt -44.77 -50.08 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -58.84 -62.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -49.34 -36.62 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -58.27 -57.71 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -52.43 -57.14 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.9 mm -51.7 -51.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.28 -45.35 23.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -60.45 -47.2 87.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 75.4 mt -54.42 -64.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -46.09 -51.41 13.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.528 HG12 ' HB1' ' A' ' 829' ' ' ALA . 50.8 mt -56.23 -48.77 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -54.5 -54.77 36.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.2 t -56.83 -56.58 19.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.75 -45.08 63.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.4 t80 -51.85 -53.51 39.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -53.18 -52.99 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -45.16 -51.78 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 821' ' ' VAL . 53.5 tp -55.12 -64.04 0.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.623 ' HB3' HD11 ' A' ' 808' ' ' LEU . 36.2 mt -43.48 -63.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 12.2 t -46.68 -48.05 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -54.11 -29.73 45.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.476 ' O ' ' C ' ' A' ' 807' ' ' HIS . 45.2 m-70 -80.81 38.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.6 m80 31.01 54.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 803' ' ' LEU . 56.2 mt -43.54 164.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.8 OUTLIER -146.34 172.25 13.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.3 p -67.82 -46.28 72.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -90.86 29.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' SER . . . . . 0.47 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.7 t -66.75 120.21 13.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -88.25 134.38 33.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' TRP . . . . . 0.44 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 23.7 t-105 -59.57 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 67.0 m -43.33 -44.45 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -70.25 -64.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.84 -27.67 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.32 -48.51 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.82 -14.43 63.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -92.1 -39.56 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 817' ' ' VAL . 12.5 m -83.29 -28.93 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 823' ' ' SER . 6.3 pt-20 -48.37 -35.14 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' SER . . . . . 0.486 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 1.4 t -53.2 -30.51 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.447 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -87.85 140.34 31.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.8 -19.28 36.16 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -66.02 -32.5 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 821' ' ' VAL . 2.0 t80 -70.61 -15.15 62.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.17 -10.46 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' ' 795' ' ' ILE . . . -65.89 -40.46 91.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 795' ' ' ILE . 92.7 t -77.32 102.14 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -76.67 -40.3 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 835' ' ' MET . 70.9 m -72.69 117.54 14.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 78.6 p -61.13 -40.8 95.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 54.3 p -55.91 -35.07 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' MET . . . . . 0.474 ' CG ' ' HB2' ' A' ' 832' ' ' SER . 89.4 mmm -62.69 -44.65 95.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . 0.412 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.8 mtm180 -63.43 -55.97 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.64 -50.25 72.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.79 -59.51 5.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 73.1 mt -50.32 -56.99 8.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -54.91 -59.79 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -48.75 -41.81 33.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -56.78 -53.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' A' ' 847' ' ' ILE . 10.3 t80 -54.82 -56.56 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.21 -49.91 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.13 -45.33 32.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.53 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 843' ' ' TYR . 81.6 mt -56.55 -64.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 32.9 t -106.52 -45.77 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 15.3 m -59.11 121.36 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -111.09 154.36 16.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.8 p -172.9 134.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 783' ' ' GLY . 27.4 t -77.55 156.54 30.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 782' ' ' SER . . . 36.06 -145.86 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -148.78 126.67 11.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.06 129.35 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -104.64 74.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -102.64 162.46 12.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 35.8 m -72.2 -47.26 51.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . 0.433 ' N ' ' HE2' ' A' ' 789' ' ' LYS . 0.2 OUTLIER -39.64 -48.03 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 790' ' ' THR . 7.4 t -138.73 114.28 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -116.78 41.88 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . 0.422 ' HA2' HD12 ' A' ' 795' ' ' ILE . . . -71.24 -39.18 62.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.56 -64.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.933 0.397 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 6.4 ptmm? -53.56 -42.15 67.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.439 ' N ' ' HG3' ' A' ' 794' ' ' LYS . 98.8 mt -58.83 -39.42 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -64.2 -48.87 74.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.9 t -55.47 -49.3 72.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -56.34 -45.42 80.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -52.58 -59.41 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -52.12 -53.68 39.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 16.1 mt-10 -42.69 -56.76 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.442 HD13 HH21 ' A' ' 826' ' ' ARG . 35.5 tp -53.35 -66.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.695 ' HB3' HD11 ' A' ' 808' ' ' LEU . 25.6 mt -41.06 -60.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 50.4 p -52.19 -43.5 64.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.1 m-20 -57.11 -27.14 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.59 30.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.9 m170 33.81 54.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 803' ' ' LEU . 51.6 mt -42.75 148.6 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.05 153.63 51.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.1 p -47.67 -38.27 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.74 26.92 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 m -65.57 138.69 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.27 120.92 32.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.404 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 27.8 t-105 -44.28 -51.07 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.0 p -50.29 -40.37 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -73.62 -61.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.911 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.77 -33.35 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.523 ' HA ' HG22 ' A' ' 821' ' ' VAL . 22.1 ttpp -72.78 -45.08 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.11 -14.64 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -99.38 -40.11 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 817' ' ' VAL . 22.6 m -76.9 -29.59 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.94 -43.18 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 15.7 t -54.17 -30.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -83.96 140.03 40.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.623 0.725 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.9 Cg_endo -69.72 -24.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.442 HH21 HD13 ' A' ' 802' ' ' LEU . 85.2 mtm-85 -59.22 -40.11 84.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.37 -27.21 68.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -72.81 -23.19 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.19 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.09 116.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.2 -41.46 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.6 t -74.08 123.45 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.9 m -66.08 -48.65 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.4 m -43.36 -44.3 5.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . 0.42 ' O ' ' CG ' ' A' ' 839' ' ' LEU . 70.3 mmm -60.17 -38.19 82.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.404 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.0 mtt180 -64.48 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -53.96 -50.0 67.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -58.12 -59.67 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.42 ' CG ' ' O ' ' A' ' 835' ' ' MET . 54.5 mt -53.11 -60.28 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . 0.4 ' CE1' HG11 ' A' ' 817' ' ' VAL . 70.4 t80 -50.72 -52.39 40.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -56.51 -42.29 78.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -54.87 -58.94 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.458 ' CE1' HD11 ' A' ' 847' ' ' ILE . 6.4 t80 -52.46 -57.19 10.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.614 ' CD1' HD13 ' A' ' 808' ' ' LEU . 32.6 mm -52.68 -44.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.184 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -52.65 -44.55 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -62.41 -46.28 89.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 843' ' ' TYR . 64.5 mt -55.56 -64.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -41.51 -53.58 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -70.17 161.73 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -39.16 111.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.3 143.11 57.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.34 92.59 0.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.2 t -113.39 112.89 24.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 6.1 t -159.55 140.78 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 96.66 -158.05 21.38 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.74 3.27 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.666 2.244 . . . . 0.0 112.373 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 23.2 t -41.61 -41.27 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 54.8 m -91.37 135.77 33.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 79.6 p -107.79 150.0 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.377 . . . . 0.0 110.893 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 80.8 p -79.26 -52.16 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -171.52 -82.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.557 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 79.7 p -129.4 87.1 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 20.3 m -80.17 161.17 25.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 56.6 106.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -94.82 -56.72 2.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -92.59 163.58 13.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 787' ' ' ASP . 0.6 OUTLIER -87.43 21.57 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 786' ' ' GLU . 10.0 t0 -36.31 141.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 789' ' ' LYS . 33.4 m -113.74 -43.73 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 788' ' ' SER . 5.6 mmmm -35.2 -47.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.18 114.73 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.3 ptt-85 -112.76 43.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' A' ' 795' ' ' ILE . . . -38.5 -61.08 1.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 792' ' ' GLY . 11.6 tp10 -38.48 -58.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.399 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -48.45 -60.28 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.494 HD12 ' HA2' ' A' ' 792' ' ' GLY . 18.9 mt -44.44 -52.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -54.36 -49.38 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.8 t -51.87 -54.94 23.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -57.02 -40.9 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 803' ' ' LEU . 16.7 t80 -56.44 -56.66 18.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -53.2 -45.68 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -49.95 -55.08 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.87 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' ' 808' ' ' LEU . 24.9 mt -39.99 -60.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 11.2 t -52.79 -44.91 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -54.77 -26.76 36.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 807' ' ' HIS . 15.4 m-70 -82.86 33.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.2 p80 33.41 54.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.659 HD13 ' CD1' ' A' ' 844' ' ' ILE . 33.4 mt -43.86 162.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 812' ' ' SER . 1.0 OUTLIER -147.08 168.88 20.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 56.2 p -64.17 -36.4 83.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -87.7 18.1 4.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.0 m -61.91 130.78 47.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -113.15 149.25 33.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 815' ' ' SER . 29.8 t-105 -66.34 -69.06 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 814' ' ' TRP . 50.0 m -35.07 -39.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -73.41 -64.1 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.6 OUTLIER -47.39 -28.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.466 ' HA ' HG22 ' A' ' 821' ' ' VAL . 27.8 tttp -76.0 -48.32 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.53 -16.69 64.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -92.8 -41.45 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 817' ' ' VAL . 35.0 m -77.66 -31.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -39.1 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 821' ' ' VAL . 2.2 t -84.67 27.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -136.07 139.86 31.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.78 -31.48 20.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -58.78 -35.37 72.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 836' ' ' ARG . 14.2 t80 -64.02 -30.86 71.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -51.79 -49.13 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.53 129.99 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -88.03 -50.08 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 4.4 m -74.13 148.53 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.5 m -82.83 -48.29 10.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 55.2 m -45.11 -43.25 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.26 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.521 ' HD3' ' CE2' ' A' ' 827' ' ' TYR . 5.4 mtt85 -55.38 -56.84 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.94 -54.8 40.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -51.58 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.6 -55.31 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -54.1 -60.28 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -47.28 -45.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -51.23 -59.18 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.415 ' CD1' HD12 ' A' ' 808' ' ' LEU . 9.3 t80 -50.88 -55.69 15.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.659 ' CD1' HD13 ' A' ' 808' ' ' LEU . 9.6 mm -51.41 -50.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.08 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -48.94 -45.38 41.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.45 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -52.85 -45.07 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -52.4 -60.66 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -89.86 86.94 6.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.5 148.6 23.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.15 161.95 13.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 36.8 p -92.43 73.44 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 5.3 m -125.39 155.3 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 91.63 175.42 43.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -31.9 19.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 4.4 m -80.71 144.42 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 4.4 m -107.34 117.22 33.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.4 t -69.9 160.58 31.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 73.0 m -83.12 156.26 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 123.01 126.66 3.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 67.6 m -68.15 155.03 40.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 2.1 t -80.3 146.97 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 155.03 158.18 8.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -134.32 -45.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.406 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.65 90.76 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 787' ' ' ASP . 72.1 mt-10 -98.76 167.95 10.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 786' ' ' GLU . 3.2 p30 -35.95 144.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 15.9 m -116.16 91.56 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.39 -49.69 9.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 55.2 m -89.53 -55.42 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -39.89 -55.3 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -44.01 -45.73 7.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -49.13 -55.74 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -48.44 -58.1 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.822 HG23 ' HB1' ' A' ' 829' ' ' ALA . 77.4 mt -47.1 -46.34 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -56.48 -60.09 4.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.5 t -43.47 -55.41 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 -53.3 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 803' ' ' LEU . 17.7 t80 -49.0 -57.79 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -52.41 -50.84 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.34 -56.98 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.552 HD21 ' HB ' ' A' ' 821' ' ' VAL . 40.2 tp -53.21 -61.76 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.832 ' HB3' HD11 ' A' ' 808' ' ' LEU . 39.4 mt -43.35 -63.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 92.8 p -48.67 -46.41 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -56.6 -26.84 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -84.11 30.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.9 m170 34.46 55.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 803' ' ' LEU . 68.1 mt -43.24 164.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.73 175.69 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 13.8 t -71.52 -40.81 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -85.78 30.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.8 p -65.58 124.18 21.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 814' ' ' TRP . 2.3 mmp_? -103.32 106.09 16.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.45 ' C ' ' O ' ' A' ' 813' ' ' ARG . 29.5 t-105 -34.3 -61.52 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 89.5 p -40.62 -41.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 813' ' ' ARG . 12.9 mmtm -72.54 -63.95 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.4 OUTLIER -47.79 -26.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.43 ' HA ' HG22 ' A' ' 821' ' ' VAL . 23.8 tttt -79.8 -41.18 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . 0.415 ' C ' ' HG2' ' A' ' 822' ' ' GLU . 4.3 t70 -71.42 -17.23 62.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -91.79 -39.95 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 817' ' ' VAL . 35.5 m -80.1 -35.32 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 819' ' ' ASP . 10.4 pt-20 -39.29 -27.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 821' ' ' VAL . 1.3 t -84.69 25.98 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.9 t70 -136.52 139.95 30.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.658 0.742 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.78 21.69 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -59.97 -35.29 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 2.1 t80 -62.5 -29.21 70.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -71.06 -26.15 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.822 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -43.2 -44.62 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 836' ' ' ARG . 60.1 t -78.18 115.16 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.5 -47.18 10.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 72.4 m -72.01 110.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 7.2 m -46.24 -41.87 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 835' ' ' MET . 15.8 m -50.96 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 834' ' ' SER . 96.9 mmm -34.41 -48.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.524 ' HG3' HG11 ' A' ' 830' ' ' VAL . 49.8 mtm180 -59.13 -56.65 19.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.43 -54.54 45.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.57 -64.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 75.2 mt -43.22 -57.87 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -49.24 -55.64 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -53.59 -47.03 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -51.44 -64.92 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.431 ' CE1' HD11 ' A' ' 847' ' ' ILE . 4.5 t80 -42.73 -58.42 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 19.3 mm -52.6 -53.06 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -43.06 -44.32 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -65.06 -47.0 78.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.431 HD11 ' CE1' ' A' ' 843' ' ' TYR . 85.2 mt -52.68 -65.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 849' ' ' LYS . . . -43.23 -51.9 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 848' ' ' ALA . 28.2 ttmt -35.61 -58.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -112.23 124.28 52.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 852' ' ' ASP . 14.6 mt -112.07 -61.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 851' ' ' LEU . 7.2 m-20 -35.6 130.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 43.6 t -82.11 89.25 6.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 47.1 m -90.13 123.38 33.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 116.66 151.6 9.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.449 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 87.75 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 13.7 m -63.43 95.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 81.5 p -56.14 166.57 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 780' ' ' GLY . 6.4 t -94.05 -57.02 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 21.2 p 40.04 29.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 778' ' ' SER . . . -88.79 -108.83 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 83.6 p -55.83 167.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 96.2 p -172.29 140.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 61.83 143.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.443 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -134.37 123.15 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -127.57 -47.46 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -55.84 114.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.48 159.48 15.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 65.8 p -109.82 79.46 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -83.75 -64.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 89.5 m -98.64 -54.64 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 795' ' ' ILE . 24.9 ttm180 -51.19 -28.44 11.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -58.54 -9.4 6.46 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -62.19 -65.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 795' ' ' ILE . 19.6 ptmt -55.45 -52.67 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.658 ' CG2' HG22 ' A' ' 830' ' ' VAL . 4.3 mp -46.59 -51.83 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -47.38 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.5 t -53.13 -56.46 16.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . 0.565 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -58.2 -56.02 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.565 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 12.1 t80 -39.64 -49.61 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -62.69 -46.62 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 0.1 OUTLIER -50.18 -47.68 54.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.588 HD21 ' HB ' ' A' ' 821' ' ' VAL . 16.7 tp -61.19 -60.69 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.82 ' HB3' HD11 ' A' ' 808' ' ' LEU . 35.0 mt -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 843' ' ' TYR . 95.5 p -51.55 -32.18 27.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 12.7 m-20 -75.22 -22.61 57.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.438 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.9 m170 -84.21 32.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 806' ' ' HIS . 1.6 t-80 34.59 54.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 803' ' ' LEU . 25.5 mt -48.75 168.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 810' ' ' SER . 0.9 OUTLIER -151.92 160.8 43.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 89.6 p -55.69 -42.11 74.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -88.36 30.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 32.4 m -83.78 125.36 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -98.58 149.07 23.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.531 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 40.5 t-105 -63.39 -69.11 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.3 t -33.78 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 814' ' ' TRP . 34.7 mmtt -74.34 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 821' ' ' VAL . 1.0 OUTLIER -53.86 -43.73 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.55 ' HA ' HG22 ' A' ' 821' ' ' VAL . 3.4 ptmm? -68.42 -36.05 78.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -80.79 -32.27 35.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 817' ' ' VAL . 34.1 m -82.52 -29.61 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 821' ' ' VAL . 8.5 pt-20 -36.38 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 27.6 m -84.19 30.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.2 t70 -140.09 139.99 22.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.75 -26.38 27.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -64.11 -31.47 72.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.86 -22.53 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -79.29 -16.36 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.62 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.658 HG22 ' CG2' ' A' ' 795' ' ' ILE . 13.5 t -75.82 137.45 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -113.25 -34.31 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m -81.28 112.66 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 79.0 p -53.99 -45.37 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.2 t -46.12 -41.81 12.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 76.1 mmm -69.09 -38.75 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.512 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 4.4 mmt85 -54.17 -57.23 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -55.66 15.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -47.57 -59.33 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.53 -55.58 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 814' ' ' TRP . 50.9 t80 -53.01 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -49.24 -41.96 39.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.8 -58.69 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 808' ' ' LEU . 17.1 t80 -50.73 -56.0 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.567 ' CD1' HD13 ' A' ' 808' ' ' LEU . 5.0 mm -48.71 -52.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -49.87 -41.92 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -62.84 -39.54 94.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -62.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.41 89.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -87.26 53.18 2.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -107.34 -44.51 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.688 ' H ' HD23 ' A' ' 851' ' ' LEU . 0.2 OUTLIER -83.68 -14.09 52.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.08 -51.43 54.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 5.0 m -79.3 107.04 11.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 82.8 p -65.97 176.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.908 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 138.85 149.25 5.41 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 97.38 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 5.0 t -69.51 174.85 4.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 30.3 t 38.05 42.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 32.1 p -139.09 172.88 12.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 17.2 t -125.58 148.69 48.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 44.38 -168.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 66.6 m -140.89 131.85 26.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 15.9 m -158.35 157.57 32.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -172.15 -159.81 19.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -103.35 -177.62 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -115.9 -38.05 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -131.38 46.53 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -138.38 156.52 47.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 71.5 p -93.69 36.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -74.69 -58.92 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.0 m -91.7 39.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -86.06 -52.08 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -44.26 -43.15 7.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -44.68 -39.04 4.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.371 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -57.97 -60.22 4.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 795' ' ' ILE . 5.0 mp -55.1 -39.9 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -57.57 -47.55 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 61.6 p -64.57 -52.95 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.18 -50.41 64.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.78 -52.39 60.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -54.46 -51.28 65.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.0 -59.17 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.468 HD21 HG12 ' A' ' 821' ' ' VAL . 51.0 tp -49.52 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 808' ' ' LEU . 23.3 mt -43.01 -65.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 54.8 p -47.68 -45.44 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -57.61 -26.49 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 10.2 m-70 -83.57 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 28.6 m80 33.19 54.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 803' ' ' LEU . 75.2 mt -44.94 163.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.71 179.51 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 90.0 p -76.58 -30.07 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -95.91 26.59 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 12.2 m -73.18 130.11 39.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 14.4 mmm-85 -111.48 140.67 45.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 815' ' ' SER . 31.7 t-105 -54.54 -69.09 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 814' ' ' TRP . 25.6 m -34.27 -41.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.3 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.61 -27.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.405 ' HA ' HG22 ' A' ' 821' ' ' VAL . 12.4 tttt -75.01 -48.14 25.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.31 -22.74 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -83.41 -42.48 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.6 m -76.94 -29.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.43 -28.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 58.0 p -86.96 26.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.0 t70 -135.34 140.18 33.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.78 -31.69 19.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -59.5 -30.31 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.592 ' CZ ' ' NH1' ' A' ' 836' ' ' ARG . 3.1 t80 -70.98 -12.96 61.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -86.88 1.84 51.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -74.71 -54.71 6.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.589 HG11 ' HG2' ' A' ' 836' ' ' ARG . 9.0 t -59.98 149.27 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -112.49 -54.06 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.5 t -77.05 148.83 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 35.7 p -80.58 -40.32 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.2 p -54.8 -43.44 72.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 91.3 mmm -56.16 -36.78 68.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.592 ' NH1' ' CZ ' ' A' ' 827' ' ' TYR . 7.0 mtp180 -68.28 -59.99 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 841' ' ' LYS . 0.7 OUTLIER -51.22 -39.06 55.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.14 -56.4 6.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -60.37 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -50.86 -54.88 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 837' ' ' GLU . 40.8 mtpt -52.85 -45.7 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.14 -54.24 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.523 ' CE1' HD12 ' A' ' 808' ' ' LEU . 12.0 t80 -54.99 -58.31 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 36.4 mm -51.02 -47.26 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -51.07 -45.22 61.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.29 -43.71 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.42 -63.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.04 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.066 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -40.78 -63.19 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -49.32 -55.49 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.31 91.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -85.82 111.82 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 67.8 p -87.65 -50.02 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 54.5 p -79.76 138.84 37.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -84.71 -79.02 1.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.64 163.09 39.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 858' ' ' SER . 1.5 t -147.56 151.96 37.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 857' ' ' SER . 59.5 p 37.58 42.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.811 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 778' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 777' ' ' GLY . 33.7 t -38.08 147.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 48.8 m -99.03 144.63 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 121.4 179.76 16.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 21.8 t -127.77 123.82 36.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 22.4 t -59.22 -59.54 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -177.83 57.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -42.68 121.87 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.393 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -69.58 -46.9 65.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -41.59 -50.88 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -106.64 132.83 52.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 789' ' ' LYS . 41.9 t -98.8 -53.83 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 788' ' ' SER . 3.9 tptm -35.76 -48.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 97.1 m -59.06 -57.47 12.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -57.2 -29.02 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -42.84 -32.84 1.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -47.5 -48.28 27.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.922 0.392 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -66.77 -60.56 2.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.9 mt -44.94 -33.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -73.26 -53.41 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 32.2 t -53.32 -44.22 68.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.62 -53.6 52.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' A' ' 839' ' ' LEU . 17.5 t80 -46.42 -50.2 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -56.94 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -38.06 -51.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' ' 821' ' ' VAL . 53.9 tp -56.97 -62.72 1.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 808' ' ' LEU . 82.9 mt -43.33 -62.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 79.4 p -49.66 -40.32 39.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 77.8 m-20 -63.74 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.832 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.5 m-70 -82.35 36.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 806' ' ' HIS . 12.5 t60 32.96 55.02 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 803' ' ' LEU . 41.0 mt -46.31 168.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.74 177.1 11.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 80.6 p -68.36 -50.96 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -84.5 30.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.0 t -75.55 121.11 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -97.6 148.18 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.464 ' CE2' ' HD2' ' A' ' 818' ' ' LYS . 29.4 t-105 -61.96 -69.01 0.27 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 814' ' ' TRP . 43.5 m -36.39 -35.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -73.63 -57.96 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.845 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -53.6 -43.03 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.733 ' HA ' HG22 ' A' ' 821' ' ' VAL . 9.0 ptmt -70.97 -32.36 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 815' ' ' SER . 5.5 m-20 -71.08 -23.0 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -93.7 -35.83 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 817' ' ' VAL . 10.8 m -77.08 -29.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 821' ' ' VAL . 9.5 pt-20 -35.95 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 821' ' ' VAL . 38.0 p -83.73 29.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.0 t70 -136.6 140.03 31.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.73 -27.81 26.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.4 -29.55 70.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -69.26 -21.71 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -84.33 -10.35 57.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.81 93.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.404 ' CG1' ' HG3' ' A' ' 836' ' ' ARG . 46.1 t -82.99 120.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.31 -44.84 7.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.4 t -70.36 116.06 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 95.7 p -57.07 -49.81 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 34.9 m -44.92 -41.38 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 84.8 mmm -63.41 -49.04 75.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.404 ' HG3' ' CG1' ' A' ' 830' ' ' VAL . 66.0 mtm180 -55.86 -48.54 75.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.74 -55.99 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.0 -57.85 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 799' ' ' PHE . 67.9 mt -46.91 -59.86 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -50.95 -59.07 4.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -48.25 -45.44 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -54.53 -56.26 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 808' ' ' LEU . 10.7 t80 -54.64 -58.27 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.546 ' CD1' HD13 ' A' ' 808' ' ' LEU . 8.2 mm -50.07 -55.22 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -44.92 -47.28 11.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -57.79 -46.72 84.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.422 HD11 ' CE1' ' A' ' 843' ' ' TYR . 72.0 mt -56.02 -65.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.78 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -84.96 48.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 850' ' ' ASN . 38.2 p-10 -121.56 79.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.31 117.99 18.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -128.46 88.24 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 40.3 t -106.02 106.12 16.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 35.8 p -60.31 -61.77 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -42.85 145.94 0.92 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 138.32 37.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.3 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 85.8 p -60.14 112.9 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 56.7 p -153.55 156.2 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 40.7 m -96.65 112.05 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 96.0 p -50.24 -45.24 53.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 133.73 141.88 4.62 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 15.3 t -106.32 -45.65 4.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 31.5 t -158.82 159.5 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 117.65 81.96 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -113.37 113.4 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -108.84 -58.83 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -119.43 104.46 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -51.2 -51.11 56.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 83.8 p -43.19 -48.17 6.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -66.95 -50.54 62.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.736 HG22 ' HG2' ' A' ' 793' ' ' GLU . 3.7 m -86.59 59.58 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 791' ' ' ARG . 10.2 ttp-105 -89.31 -20.54 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -52.5 -43.04 58.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . 0.736 ' HG2' HG22 ' A' ' 790' ' ' THR . 5.7 pt-20 -64.52 -33.79 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -64.32 -49.9 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.445 HG22 HG22 ' A' ' 830' ' ' VAL . 27.7 mt -61.54 -44.43 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . 0.403 ' HG3' HD21 ' A' ' 839' ' ' LEU . 21.9 ttpt -55.86 -52.04 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.3 t -53.45 -56.08 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -49.07 -61.23 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -41.39 -59.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -50.18 -56.69 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -41.2 -51.09 3.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.583 HD21 ' HB ' ' A' ' 821' ' ' VAL . 36.9 tp -57.65 -62.14 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.767 ' HB3' HD11 ' A' ' 808' ' ' LEU . 46.7 mt -42.84 -62.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 15.1 t -48.34 -43.02 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -61.57 -25.53 67.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.0 m-70 -82.61 33.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 806' ' ' HIS . 39.2 m80 34.34 54.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 803' ' ' LEU . 25.7 mt -46.8 174.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -158.43 178.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 50.5 m -74.61 -37.29 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -93.2 29.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.8 m -90.02 123.5 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -95.51 170.35 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.503 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.3 t-105 -75.33 -69.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 814' ' ' TRP . 18.5 m -36.11 -34.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 814' ' ' TRP . 16.5 mmtm -74.66 -59.18 2.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -51.82 -41.61 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.65 ' HA ' HG22 ' A' ' 821' ' ' VAL . 3.4 ptmm? -70.46 -36.89 74.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.3 -26.96 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -85.83 -36.97 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 818' ' ' LYS . 17.4 m -80.96 -28.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 821' ' ' VAL . 1.3 pp20? -36.5 -28.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 821' ' ' VAL . 11.6 t -83.24 28.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.6 t70 -135.79 140.4 33.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -29.31 23.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.44 -34.11 77.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.23 -21.72 66.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -80.98 -22.89 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -52.56 -50.36 63.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 795' ' ' ILE . 40.3 t -69.04 119.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -92.57 -43.42 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.1 t -70.65 130.69 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 82.9 p -70.72 -45.48 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.2 t -49.28 -45.24 44.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 82.3 mmm -57.97 -45.86 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 86.7 mtt180 -55.34 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -54.65 -60.46 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . 0.477 ' OD1' ' NE2' ' A' ' 842' ' ' GLN . 3.5 t70 -45.45 -58.67 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.403 HD21 ' HG3' ' A' ' 796' ' ' LYS . 63.7 mt -50.03 -54.13 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.96 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -47.21 -38.38 11.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 838' ' ' ASP . 34.0 mt-30 -62.23 -54.71 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.448 ' CD1' HD11 ' A' ' 847' ' ' ILE . 12.0 t80 -54.62 -54.36 42.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.75 ' CD1' HD13 ' A' ' 808' ' ' LEU . 4.8 mm -53.72 -54.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -46.36 -42.35 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.67 -47.16 82.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.448 HD11 ' CD1' ' A' ' 843' ' ' TYR . 65.9 mt -54.3 -64.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -51.53 -42.48 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . 0.462 ' HD2' ' ND2' ' A' ' 850' ' ' ASN . 0.4 OUTLIER -52.27 -52.06 54.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.462 ' ND2' ' HD2' ' A' ' 849' ' ' LYS . 9.1 m-80 -100.69 117.26 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 20.6 tp -120.05 111.96 18.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -38.48 101.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 7.1 t -111.33 102.23 10.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 19.9 m -91.23 81.33 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.81 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -116.18 -166.26 14.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.93 13.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 95.7 p -83.79 109.27 17.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 3.2 m -70.07 161.27 30.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 51.9 p -123.59 132.33 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.828 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 78.6 p -55.45 -48.24 74.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 85.76 49.15 4.43 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 15.4 t -61.27 127.6 32.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 5.8 t -101.15 164.03 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 66.34 168.19 2.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -131.12 95.99 3.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.945 0.403 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -118.03 144.24 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.41 74.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -123.35 165.52 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 19.3 t -63.7 -46.51 85.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.829 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -58.44 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 64.4 m -58.34 -46.13 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -45.62 -46.25 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -70.43 -40.82 68.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -53.06 -56.06 19.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -49.56 -52.83 27.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -58.21 -44.78 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -57.6 -44.99 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.7 t -59.79 -48.19 82.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.19 -52.22 59.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.0 t80 -51.85 -54.69 26.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -55.47 -46.58 76.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.4 -58.97 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.551 HD21 ' HB ' ' A' ' 821' ' ' VAL . 19.5 tp -52.68 -59.28 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.592 ' HB3' HD11 ' A' ' 808' ' ' LEU . 53.1 mt -43.27 -64.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 52.7 p -48.04 -42.59 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.59 -27.23 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.492 ' CE1' HG12 ' A' ' 821' ' ' VAL . 10.2 m-70 -81.24 38.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.0 t60 32.93 54.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 803' ' ' LEU . 30.2 mt -46.51 156.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.2 p-10 -134.01 176.14 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 25.1 p -70.8 -44.63 66.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -94.33 29.5 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . 0.403 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 7.6 t -67.83 124.07 22.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -95.24 143.17 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.472 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 28.6 t-105 -64.92 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 814' ' ' TRP . 8.7 t -34.93 -43.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -70.1 -64.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.781 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.48 -26.71 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 821' ' ' VAL . 17.8 ttpp -76.42 -44.28 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 819' ' ' ASP . 0.3 OUTLIER -68.52 -22.53 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -89.59 -39.4 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 817' ' ' VAL . 31.8 m -76.99 -30.19 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -38.93 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.2 t -85.07 29.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.7 t70 -132.03 139.81 36.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.82 -31.27 20.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -61.5 -37.01 82.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 827' ' ' TYR . 3.0 t80 -62.05 -23.49 66.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -77.92 -27.38 49.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -53.14 -42.54 66.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.54 123.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.07 -44.01 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.4 m -70.06 105.96 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 71.9 m -49.87 -48.0 51.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.8 m -43.92 -44.34 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 71.2 mmm -58.82 -42.56 89.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -59.94 -53.21 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -62.39 -60.2 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -49.16 -61.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.2 mt -46.03 -60.84 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -48.25 -57.77 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -49.46 -48.92 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.11 -60.27 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.436 ' CE1' HD11 ' A' ' 847' ' ' ILE . 2.8 t80 -47.54 -54.6 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.5 mm -54.86 -47.68 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.43 -41.95 41.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -65.7 -46.99 76.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 843' ' ' TYR . 92.9 mt -54.11 -65.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -45.49 -43.57 11.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.075 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -55.43 -54.19 46.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -90.0 78.97 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 10.3 tp -91.3 110.76 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -52.93 121.62 7.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 58.3 m -112.06 152.3 28.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 34.8 t -107.84 -57.89 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -164.85 -106.64 0.2 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 84.95 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 0.0 112.357 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 4.9 m -158.93 138.52 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 43.3 m -97.52 171.15 8.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 2.3 m -129.5 149.45 51.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 1.9 t -112.57 -49.08 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 122.91 164.06 11.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 39.4 m -108.42 152.92 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 73.1 m -58.82 113.62 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -155.31 51.96 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -93.22 101.35 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -76.37 176.5 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -102.42 49.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -118.33 166.84 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 46.8 p -80.22 53.11 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -125.28 -42.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 6.0 t -74.47 -29.42 61.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -68.0 -37.58 81.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -51.9 -34.0 37.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -54.21 -58.97 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -54.35 -58.75 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.7 mt -45.35 -43.72 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -62.5 -60.13 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 16.7 t -41.88 -57.59 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.48 -42.93 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 803' ' ' LEU . 11.7 t80 -54.36 -60.34 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -51.79 -52.92 45.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.79 -52.03 6.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.468 HD13 ' NH2' ' A' ' 826' ' ' ARG . 58.6 tp -59.45 -59.74 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 799' ' ' PHE . 83.7 mt -44.76 -59.51 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -50.75 -41.92 57.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.36 -25.57 67.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.806 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.3 m-70 -81.08 36.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.475 ' C ' ' O ' ' A' ' 806' ' ' HIS . 32.6 t-80 32.16 55.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 843' ' ' TYR . 95.3 mt -45.68 170.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -156.85 -179.97 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.5 p -69.24 -55.74 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -83.72 22.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 5.6 p -51.45 119.96 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -88.9 135.11 33.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 815' ' ' SER . 39.3 t-105 -67.55 -68.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 814' ' ' TRP . 6.7 t -33.43 -41.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -63.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.875 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -29.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.539 ' HA ' HG22 ' A' ' 821' ' ' VAL . 22.8 ttpp -76.12 -41.76 49.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.45 -14.12 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -100.18 -35.61 9.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.8 m -80.92 -29.18 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -48.64 -36.01 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.5 t -54.07 -30.32 47.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.442 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.6 t70 -86.93 140.18 32.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.4 Cg_endo -69.79 -27.84 25.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.468 ' NH2' HD13 ' A' ' 802' ' ' LEU . 85.2 mtm180 -58.08 -37.21 74.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -60.87 -32.5 71.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -68.46 -22.88 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.26 57.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.28 96.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -71.21 -40.16 71.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 35.8 t -70.84 119.38 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 3.0 m -65.07 -44.35 89.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 20.3 m -48.41 -41.32 28.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 69.3 mmm -61.56 -41.19 97.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.92 -57.56 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . 0.428 ' O ' ' CD ' ' A' ' 841' ' ' LYS . 13.2 mt-10 -61.63 -48.27 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.21 -65.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 62.0 mt -48.74 -59.53 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . 0.41 ' HD1' HD22 ' A' ' 803' ' ' LEU . 75.4 t80 -47.5 -55.91 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 837' ' ' GLU . 18.1 mtpp -53.83 -50.3 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -48.48 -57.02 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 808' ' ' LEU . 14.2 t80 -52.77 -56.56 14.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.434 HD11 HD22 ' A' ' 808' ' ' LEU . 21.8 mm -51.6 -46.19 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -52.17 -45.69 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.4 -43.96 96.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 843' ' ' TYR . 55.0 mt -59.72 -61.94 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -38.99 -64.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -53.45 57.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -105.26 89.88 3.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' ' 851' ' ' LEU . 4.4 mp -66.28 130.41 43.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -117.71 169.69 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.1 m -133.99 154.77 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 71.2 m -107.18 129.02 54.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -158.5 -85.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -26.95 27.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.32 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 7.1 t -84.94 125.71 32.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 30.2 p -49.25 110.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 71.0 m -102.62 42.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 41.8 t -54.59 127.83 29.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 70.01 52.71 17.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 84.0 p -107.18 136.82 46.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 60.7 p -62.83 149.03 45.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -135.83 138.19 9.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.548 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -53.35 168.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.963 0.411 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 84.86 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -92.0 152.07 20.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 788' ' ' SER . 12.8 t70 -49.5 168.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.444 ' N ' ' CG ' ' A' ' 787' ' ' ASP . 5.7 m -92.54 45.96 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 789' ' ' LYS . 0.6 OUTLIER -83.29 -63.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 791' ' ' ARG . 8.8 t -71.51 -42.32 68.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . 0.45 ' N ' HG23 ' A' ' 790' ' ' THR . 55.2 ttp85 -41.91 -43.03 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -58.74 -43.3 96.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -51.44 -57.22 9.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.01 -54.36 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 26.5 mt -53.81 -53.88 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 839' ' ' LEU . 12.6 ttpp -51.14 -39.21 55.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 40.6 t -59.96 -53.77 53.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.45 -46.67 63.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -53.49 -54.25 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -54.28 -47.17 72.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.29 -57.04 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.71 HD21 ' HB ' ' A' ' 821' ' ' VAL . 35.0 tp -52.7 -61.43 2.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.908 ' HB3' HD11 ' A' ' 808' ' ' LEU . 48.2 mt -42.45 -64.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 33.4 p -47.32 -43.5 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 807' ' ' HIS . 11.0 m-70 -83.33 33.96 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.6 t-80 33.91 54.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 803' ' ' LEU . 31.1 mt -44.86 157.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 812' ' ' SER . 3.7 p-10 -136.17 166.8 22.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.9 p -60.35 -49.36 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -87.66 30.05 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . 0.434 ' N ' ' OD2' ' A' ' 809' ' ' ASP . 25.4 t -63.15 122.58 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -94.11 123.94 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.572 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 25.2 t-105 -50.59 -54.24 24.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 9.6 t -46.51 -38.98 10.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -74.96 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.453 HG11 ' CE1' ' A' ' 840' ' ' PHE . 0.6 OUTLIER -47.76 -31.19 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 18.0 ttpp -74.64 -49.35 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.86 -13.3 61.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -92.68 -36.23 13.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.71 ' HB ' HD21 ' A' ' 802' ' ' LEU . 34.4 m -85.84 -29.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -38.84 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 22.8 t -85.23 29.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.7 t70 -137.71 139.72 27.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.74 -32.08 19.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -61.37 -32.58 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.1 t80 -66.85 -23.08 65.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -73.82 -20.78 60.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.46 -51.83 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.35 113.69 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -82.14 -51.22 8.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 t -72.82 136.99 45.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 45.9 m -73.65 -41.71 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.1 m -48.48 -41.79 30.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 86.2 mmm -59.93 -45.62 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.572 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 84.1 mtm-85 -55.72 -50.81 69.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -63.55 -60.24 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -47.4 -61.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 796' ' ' LYS . 83.6 mt -48.31 -60.69 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . 0.453 ' CE1' HG11 ' A' ' 817' ' ' VAL . 66.7 t80 -44.6 -54.22 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.24 -45.62 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -52.96 -58.73 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.466 ' CD1' HD12 ' A' ' 808' ' ' LEU . 13.6 t80 -51.96 -59.83 3.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 40.3 mm -50.98 -43.97 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -53.25 -43.66 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -62.98 -47.58 82.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.0 mt -53.36 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -42.11 -48.83 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 849' ' ' LYS . 0.9 OUTLIER -60.18 -55.53 32.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -89.33 102.24 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 21.1 tp -137.82 119.8 15.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -94.91 58.5 2.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 3.5 m -127.16 106.29 9.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 79.6 p -108.77 144.24 36.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -160.08 -162.56 12.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -26.42 27.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 40.8 t -41.01 -55.21 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 p -118.34 -49.99 2.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 59.8 p 38.76 42.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.883 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 9.4 t -92.67 167.56 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 116.5 69.37 0.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 79.4 p -122.69 101.18 7.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 3.4 m -59.01 146.41 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -142.06 -88.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.534 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 785' ' ' LYS . 24.8 tp10 -117.56 153.78 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 784' ' ' GLU . 12.2 ttmm -37.17 147.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -86.47 136.34 33.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -134.7 138.24 44.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 18.7 m -83.59 47.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.42 -41.93 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 9.3 t -74.81 -26.35 59.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -91.86 35.77 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . 0.748 ' HA2' HD12 ' A' ' 795' ' ' ILE . . . -59.5 -48.41 86.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -43.05 -57.62 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -53.71 -52.19 60.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.748 HD12 ' HA2' ' A' ' 792' ' ' GLY . 40.2 mt -48.02 -42.81 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -62.19 -55.99 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 15.0 t -48.9 -55.18 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -51.2 -47.57 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.2 t80 -49.79 -56.89 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.41 -53.97 43.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.427 ' O ' ' ND2' ' A' ' 805' ' ' ASN . 37.2 mt-10 -40.59 -59.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.607 HD21 ' HB ' ' A' ' 821' ' ' VAL . 44.0 tp -54.71 -60.43 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 799' ' ' PHE . 93.9 mt -40.23 -55.4 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 28.0 p -55.26 -43.41 74.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 801' ' ' GLU . 2.2 m-80 -59.16 -24.26 62.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.57 ' CE1' HG12 ' A' ' 821' ' ' VAL . 9.9 m-70 -81.43 35.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 806' ' ' HIS . 4.8 m170 31.82 55.01 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 843' ' ' TYR . 76.0 mt -43.97 168.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -158.12 161.8 37.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 46.3 p -63.61 -14.82 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -118.8 27.29 8.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 1.1 t -74.78 124.39 26.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -92.14 152.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 23.6 t-105 -71.62 -63.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.5 m -39.59 -40.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -72.84 -63.44 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -48.32 -28.57 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.422 ' HA ' HG22 ' A' ' 821' ' ' VAL . 28.0 ttpt -75.52 -47.63 26.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -65.5 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -89.66 -40.31 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.607 ' HB ' HD21 ' A' ' 802' ' ' LEU . 29.2 m -78.81 -29.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -39.1 -26.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 821' ' ' VAL . 5.1 t -85.05 26.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.7 t70 -138.31 139.93 26.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.1 Cg_endo -69.75 -31.71 20.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -59.44 -38.26 80.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.41 ' CD2' ' CG2' ' A' ' 821' ' ' VAL . 8.2 t80 -60.14 -27.63 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -73.55 -29.43 62.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.682 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -43.01 -46.19 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.87 130.07 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -104.96 -44.14 4.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 29.5 t -72.48 114.07 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 74.4 m -52.47 -44.89 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 3.2 t -47.68 -46.53 29.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.71 -38.2 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.49 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 90.2 mtt180 -66.06 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.54 -47.8 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -60.08 -64.66 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.9 mt -49.49 -57.52 6.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -49.78 -59.97 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -49.74 -50.51 44.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -45.81 -55.37 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 808' ' ' LEU . 12.6 t80 -52.98 -59.64 4.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.7 mm -49.13 -54.63 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -44.3 -48.03 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -57.61 -48.17 80.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 843' ' ' TYR . 66.4 mt -54.69 -65.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -48.95 -41.45 34.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -94.47 44.18 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -81.08 -45.28 16.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 851' ' ' LEU . 0.5 OUTLIER -96.68 94.15 7.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -121.49 86.81 2.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.0 m -119.72 46.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 3.1 t 67.42 47.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -126.33 -150.36 7.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 176.83 6.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 37.1 m -115.9 172.84 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 37.7 t -86.37 101.28 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 86.3 p -155.38 165.93 35.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 8.4 t -83.04 148.43 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -107.11 -157.27 20.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 35.5 m -120.54 138.69 53.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.386 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 60.0 p -160.95 133.56 6.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 166.35 159.92 12.86 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.443 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 785' ' ' LYS . 8.7 tt0 -85.16 142.54 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.413 ' N ' ' HG2' ' A' ' 784' ' ' GLU . 39.0 mtmt -70.72 -51.64 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -46.72 103.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -77.83 110.16 12.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.432 ' C ' ' HE3' ' A' ' 789' ' ' LYS . 80.7 p -127.25 89.6 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' ' 789' ' ' LYS . 0.1 OUTLIER -85.01 -55.21 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.8 t -103.32 -16.34 15.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -63.85 -48.99 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . 0.499 ' HA2' HD12 ' A' ' 795' ' ' ILE . . . -45.14 -49.0 10.08 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.94 -60.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.388 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -53.88 -56.98 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.549 HG23 ' HB1' ' A' ' 829' ' ' ALA . 17.4 mt -46.58 -42.74 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -60.82 -54.0 50.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 68.2 m -52.29 -55.31 22.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.03 -51.38 31.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 803' ' ' LEU . 19.2 t80 -49.76 -56.33 10.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -50.14 -50.43 48.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.59 -59.19 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.42 HD13 HH21 ' A' ' 826' ' ' ARG . 41.8 tp -49.5 -65.02 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.914 ' HB3' HD11 ' A' ' 808' ' ' LEU . 37.3 mt -40.88 -64.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.3 t -47.21 -44.2 22.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -57.88 -28.73 64.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 807' ' ' HIS . 12.2 m-70 -83.27 34.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.459 ' C ' ' O ' ' A' ' 806' ' ' HIS . 56.4 m-70 33.25 55.0 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.914 HD11 ' HB3' ' A' ' 803' ' ' LEU . 42.5 mt -44.25 159.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -137.33 164.22 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 71.2 m -62.69 -38.38 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.61 29.93 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 10.1 t -69.28 130.65 43.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -98.31 139.19 34.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.453 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.3 t-105 -63.02 -55.68 23.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -44.17 -40.69 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -73.1 -63.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.6 OUTLIER -47.65 -29.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.469 ' HA ' HG22 ' A' ' 821' ' ' VAL . 28.8 ttpt -75.07 -48.33 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -22.33 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -85.99 -41.94 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 817' ' ' VAL . 26.8 m -77.17 -29.94 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -39.8 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 821' ' ' VAL . 50.3 m -84.87 26.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 821' ' ' VAL . 8.6 t70 -135.96 139.86 31.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.75 -28.17 25.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.238 . . . . 0.0 112.364 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . 0.42 HH21 HD13 ' A' ' 802' ' ' LEU . 52.4 mtm-85 -62.12 -35.48 78.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -64.2 -24.52 67.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -78.39 -21.01 50.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.549 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -50.63 -54.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 3.9 t -67.83 106.66 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -66.57 -57.11 7.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 127.96 34.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 21.9 m -66.1 -42.19 89.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 4.0 m -47.83 -45.2 29.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . 0.417 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 79.7 mmm -52.83 -57.27 10.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.443 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 65.1 mtm180 -51.47 -60.95 2.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -45.91 -44.24 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.35 -65.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.793 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 81.5 mt -41.39 -51.62 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -54.81 -51.23 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.25 -41.02 83.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -56.77 -61.54 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -48.18 -53.63 16.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 808' ' ' LEU . 10.2 mm -56.28 -49.83 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -47.68 -39.66 17.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -67.74 -49.42 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 850' ' ' ASN . 80.8 mt -51.2 -66.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -41.56 -38.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -100.36 39.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 847' ' ' ILE . 49.1 t30 -103.55 -20.61 13.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 851' ' ' LEU . 0.3 OUTLIER -111.27 44.72 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 852' ' ' ASP . 34.2 t0 -81.92 125.4 30.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.7 t -65.42 141.58 58.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 28.8 t -173.84 129.17 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -92.02 145.28 17.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 39.7 m -117.75 175.23 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 63.2 m -52.64 149.2 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 778' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 777' ' ' GLY . 6.4 t -35.89 107.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 6.6 t -48.08 -46.28 33.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 114.28 174.96 18.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 8.2 t -73.99 163.52 27.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 11.2 t 43.87 41.68 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -84.73 -90.37 0.81 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -124.93 40.9 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -55.79 147.05 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -73.53 86.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -113.63 110.83 20.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 19.7 m -82.86 94.54 7.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -101.44 -45.53 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 790' ' ' THR . 14.5 m -102.1 48.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -84.13 44.05 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -89.19 -42.97 5.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -55.1 -49.98 70.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -46.53 -55.08 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.42 ' CG2' HG22 ' A' ' 830' ' ' VAL . 39.1 mt -55.72 -48.7 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -44.43 81.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 28.9 t -58.91 -45.97 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -62.63 -47.84 81.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.752 ' CE2' HD11 ' A' ' 803' ' ' LEU . 27.7 t80 -52.17 -55.73 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . 0.41 ' CZ ' HD22 ' A' ' 839' ' ' LEU . 10.1 m-85 -54.25 -50.86 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 11.7 mm-40 -44.35 -53.82 6.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.413 HD21 ' HB ' ' A' ' 821' ' ' VAL . 20.7 tp -57.06 -64.17 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 799' ' ' PHE . 42.2 mt -42.46 -60.21 1.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 93.4 p -52.35 -42.41 63.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 62.7 m-20 -58.85 -25.7 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.6 m-70 -82.14 35.16 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.3 OUTLIER 33.29 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.493 HD12 ' CE1' ' A' ' 843' ' ' TYR . 96.7 mt -44.45 156.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.83 167.55 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 22.7 p -69.76 -10.24 57.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -118.11 29.83 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 7.0 m -77.01 127.1 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -102.89 123.44 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.525 ' CE2' ' HD3' ' A' ' 818' ' ' LYS . 26.6 t-105 -45.74 -68.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 814' ' ' TRP . 61.7 p -34.8 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -70.61 -63.36 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.4 OUTLIER -49.08 -27.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 814' ' ' TRP . 19.6 ttpt -73.0 -51.57 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -66.1 -14.92 62.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -91.14 -41.51 10.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 817' ' ' VAL . 33.8 m -77.52 -29.76 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -38.77 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.8 m -83.54 24.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.8 t70 -133.05 139.97 36.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.2 Cg_endo -69.71 -31.8 20.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -61.05 -37.92 84.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -62.43 -25.01 67.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -76.66 -26.7 55.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -49.06 -54.15 17.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.42 HG22 ' CG2' ' A' ' 795' ' ' ILE . 48.2 t -70.89 107.92 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.9 -43.06 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 24.6 m -71.16 118.92 14.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 31.1 t -61.05 -49.49 77.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -44.13 -41.74 5.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 81.5 mmm -59.23 -49.19 78.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -60.5 -56.3 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -55.72 -54.43 44.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.95 -65.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 800' ' ' PHE . 79.1 mt -44.08 -54.85 5.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -54.18 -62.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -46.68 -44.11 18.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.07 -53.55 51.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.493 ' CE1' HD12 ' A' ' 808' ' ' LEU . 5.7 t80 -52.54 -53.37 47.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 19.0 mm -57.45 -47.47 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -49.83 -40.42 41.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.25 -53.14 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 77.6 mt -47.2 -64.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -41.88 -46.32 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -42.5 -49.87 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -106.64 92.82 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 16.8 tp -82.13 51.42 1.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -67.86 104.72 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 90.0 p -86.15 160.81 19.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 6.1 t -69.3 -58.94 3.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 174.25 -96.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 90.94 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.695 2.264 . . . . 0.0 112.313 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 56.9 p -167.24 173.2 9.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 58.6 m -104.42 -47.22 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 4.6 m -114.39 151.65 32.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.829 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 84.5 p -136.05 109.31 7.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 108.69 -125.36 7.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 12.0 t -136.03 142.57 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 21.3 m -70.78 -59.22 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 40.48 -147.34 0.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -42.7 120.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -63.94 -54.33 36.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -110.57 128.75 55.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -127.47 128.77 46.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 28.0 m -58.61 -64.95 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -68.72 -53.11 24.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 790' ' ' THR . 17.5 m -82.2 49.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -85.66 48.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 793' ' ' GLU . . . -80.8 -47.89 6.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 792' ' ' GLY . 9.6 mp0 -36.09 -49.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.939 0.4 . . . . 0.0 110.849 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -59.52 -67.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.4 ' CG2' HG22 ' A' ' 830' ' ' VAL . 26.9 mt -43.44 -49.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -52.12 -45.1 64.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.5 m -63.86 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -46.94 -47.86 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.586 ' CE2' HD11 ' A' ' 803' ' ' LEU . 19.5 t80 -52.53 -57.67 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 839' ' ' LEU . 19.1 m-85 -54.38 -46.05 72.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -47.18 -56.48 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 14.3 tp -57.46 -54.55 45.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.586 HD11 ' CE2' ' A' ' 799' ' ' PHE . 85.8 mt -48.85 -62.52 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 15.2 t -48.62 -40.05 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -62.57 -28.26 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.767 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.3 m170 -76.75 44.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.508 ' C ' ' O ' ' A' ' 806' ' ' HIS . 0.6 OUTLIER 29.55 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 843' ' ' TYR . 78.6 mt -49.43 139.0 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -125.4 179.09 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 68.6 p -70.86 -43.06 69.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -95.35 29.18 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 3.4 t -63.9 122.64 16.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -94.86 137.83 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 44.6 t-105 -62.83 -66.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 814' ' ' TRP . 21.4 m -33.72 -40.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -70.7 -62.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.79 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -50.12 -28.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.505 ' HA ' HG22 ' A' ' 821' ' ' VAL . 25.6 tttp -74.43 -44.51 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.19 -16.87 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -94.77 -38.71 10.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 817' ' ' VAL . 30.9 m -77.23 -33.24 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -39.56 -25.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 821' ' ' VAL . 3.5 t -84.63 24.73 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.1 t70 -133.7 139.9 35.05 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.5 Cg_endo -69.79 -30.79 21.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -60.77 -36.85 79.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.4 -27.76 67.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -74.48 -27.54 60.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -44.77 -49.36 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.4 HG22 ' CG2' ' A' ' 795' ' ' ILE . 6.3 t -73.37 131.63 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -96.46 -54.79 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 75.5 m -70.72 110.58 5.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 97.2 p -51.85 -39.96 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.0 m -48.43 -38.53 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 85.0 mmm -64.72 -48.84 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 799' ' ' PHE . 87.8 mtt180 -52.09 -50.52 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.31 -56.72 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -49.41 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.585 HD22 ' CZ ' ' A' ' 800' ' ' PHE . 60.0 mt -46.91 -50.88 18.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.41 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -45.72 -43.32 12.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -54.93 -57.53 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.617 ' CE1' HD12 ' A' ' 808' ' ' LEU . 11.5 t80 -50.81 -55.44 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 18.7 mm -51.57 -47.25 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.33 -42.7 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -63.36 -46.91 84.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 84.6 mt -53.82 -65.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -50.78 -45.53 59.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -90.22 43.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.467 ' C ' HD12 ' A' ' 851' ' ' LEU . 59.0 t30 -103.26 42.44 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.467 HD12 ' C ' ' A' ' 850' ' ' ASN . 6.1 mp -137.33 174.44 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.6 130.64 38.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.9 m -76.53 -55.18 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 79.7 p -135.03 166.2 23.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -55.86 159.46 7.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 175.11 8.54 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 88.0 p -145.57 147.28 31.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 12.9 m -144.09 136.85 27.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 50.2 m 39.1 39.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 1.3 t -119.8 87.11 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -131.92 165.46 23.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 35.9 m -142.95 129.27 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 35.3 m -107.18 168.26 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.798 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -170.02 155.06 24.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 784' ' ' GLU . 8.9 pt-20 -101.41 115.53 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.964 0.411 . . . . 0.0 110.864 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.01 -25.68 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 787' ' ' ASP . 12.2 pt-20 -131.33 -46.75 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 81.0 m-20 -81.23 50.94 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 791' ' ' ARG . 66.6 m -81.28 -54.12 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -43.21 -55.75 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 14.2 t -65.68 -18.75 65.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 788' ' ' SER . 9.6 tpp180 -70.82 -50.16 38.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -59.4 -53.64 44.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.66 -57.06 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.958 0.408 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -44.43 -58.4 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.78 -51.42 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -49.16 -43.55 42.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 8.2 t -59.51 -56.81 17.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . 0.553 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -52.87 -56.08 18.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.553 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 10.9 t80 -42.51 -61.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -50.35 -55.98 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 29.8 mt-10 -40.57 -58.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.726 HD21 ' HB ' ' A' ' 821' ' ' VAL . 58.2 tp -51.96 -67.19 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 808' ' ' LEU . 59.3 mt -39.18 -60.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 76.6 p -52.76 -40.07 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 58.8 m-20 -62.0 -24.3 66.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 807' ' ' HIS . 19.8 m-70 -83.85 31.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 806' ' ' HIS . 85.4 m-70 35.31 54.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.517 HD12 ' CD1' ' A' ' 843' ' ' TYR . 89.3 mt -43.72 166.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -153.15 162.43 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 86.5 p -59.03 -17.01 21.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -110.12 26.22 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . 0.448 ' OG ' HD12 ' A' ' 844' ' ' ILE . 6.8 p -65.68 122.16 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -102.11 114.1 27.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.415 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 30.0 t-105 -42.92 -54.28 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.8 t -47.02 -39.48 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -74.69 -63.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.7 OUTLIER -47.61 -29.5 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.495 ' HA ' HG22 ' A' ' 821' ' ' VAL . 5.4 ttpm? -76.38 -48.54 19.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -66.84 -16.1 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -93.58 -40.52 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.726 ' HB ' HD21 ' A' ' 802' ' ' LEU . 31.9 m -77.37 -29.72 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -38.71 -26.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 4.5 t -83.09 24.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 821' ' ' VAL . 10.7 t70 -137.25 140.63 31.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.453 ' HA ' ' CE ' ' A' ' 828' ' ' LYS . 53.8 Cg_endo -69.76 -32.99 17.51 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -52.55 -41.96 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 827' ' ' TYR . 2.2 t80 -62.52 -36.76 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 825' ' ' PRO . 8.1 mtmt -71.52 -19.68 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.23 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.606 HG11 ' HG3' ' A' ' 836' ' ' ARG . 42.2 t -63.16 122.98 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -93.93 -52.78 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 51.4 m -71.97 120.08 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 86.7 p -61.6 -41.5 97.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 26.4 t -48.43 -42.85 33.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 80.0 mmm -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.606 ' HG3' HG11 ' A' ' 830' ' ' VAL . 46.6 mtm180 -55.77 -61.39 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.94 -55.66 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -50.59 -61.09 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.1 -52.48 34.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.95 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -50.74 -39.17 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -56.52 -55.83 28.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.517 ' CD1' HD12 ' A' ' 808' ' ' LEU . 13.5 t80 -55.9 -54.63 42.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.448 HD12 ' OG ' ' A' ' 812' ' ' SER . 27.9 mm -54.06 -45.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -52.59 -44.66 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.72 -64.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -50.08 -38.32 37.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -70.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -112.3 98.13 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.657 ' H ' HD23 ' A' ' 851' ' ' LEU . 0.6 OUTLIER -103.37 158.62 16.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -97.95 146.05 25.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 26.8 p -51.88 117.89 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 41.0 t -111.71 163.74 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -86.08 -95.64 0.8 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 87.52 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 92.5 p -83.27 -50.18 8.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.1 t -90.34 125.3 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 20.4 m -51.11 150.25 3.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 28.3 t -117.73 107.45 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 174.91 141.28 3.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.4 p -125.78 -45.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 3.4 m -81.66 105.76 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 166.57 -127.44 1.59 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -125.73 146.37 49.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.401 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 41.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -92.89 42.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . 0.567 ' O ' HG22 ' A' ' 790' ' ' THR . 11.6 p-10 -123.43 148.66 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.9 t -86.51 -28.74 23.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -54.48 -47.98 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 787' ' ' ASP . 4.3 t -46.0 -23.95 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -60.73 -45.11 95.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -48.4 -40.44 23.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -39.52 -53.84 2.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.933 0.397 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -54.5 -64.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.425 HG12 ' HB1' ' A' ' 829' ' ' ALA . 18.2 mt -44.27 -45.11 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -60.35 -57.25 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 2.3 t -53.59 -58.35 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 798' ' ' ASP . 0.7 OUTLIER -48.52 -60.76 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.553 ' CE2' HD11 ' A' ' 803' ' ' LEU . 9.6 t80 -38.38 -54.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.17 -51.8 63.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.22 -65.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 44.4 tp -45.86 -66.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 799' ' ' PHE . 77.0 mt -39.64 -61.34 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 843' ' ' TYR . 13.6 t -51.82 -40.11 59.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -59.95 -27.15 66.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.488 ' O ' ' C ' ' A' ' 807' ' ' HIS . 8.5 m170 -78.76 43.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.488 ' C ' ' O ' ' A' ' 806' ' ' HIS . 93.8 m-70 31.06 55.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 804' ' ' SER . 86.4 mt -50.64 155.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -162.07 176.78 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 37.5 p -59.12 -39.27 81.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -84.65 30.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 69.2 p -76.55 120.48 21.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -106.82 136.62 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' ' 836' ' ' ARG . 26.2 t-105 -64.42 -57.77 8.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.6 m -42.24 -44.03 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -71.75 -63.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.782 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.61 -26.65 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.581 ' HA ' HG22 ' A' ' 821' ' ' VAL . 26.9 tttp -81.11 -40.01 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.98 -18.6 61.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.32 -34.7 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 817' ' ' VAL . 27.2 m -79.55 -31.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -44.76 -22.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . . . . . . . . . 8.2 t -86.1 25.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.7 t70 -135.02 139.82 33.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.522 0.677 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.2 Cg_endo -69.82 -31.84 19.5 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -63.53 -30.56 71.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.94 -24.75 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -79.55 -16.56 55.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.425 ' HB1' HG12 ' A' ' 795' ' ' ILE . . . -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 835' ' ' MET . 9.6 t -85.76 116.89 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -86.46 -51.53 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.7 t -71.19 115.06 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 39.9 t -56.6 -35.43 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.5 m -54.53 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . 0.439 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 83.7 mmm -66.62 -46.22 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.505 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 78.2 mtt180 -55.55 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -65.21 -47.8 75.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.36 -65.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 80.6 mt -46.62 -52.36 13.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -52.08 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -50.52 -44.87 56.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -50.51 -61.21 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.501 ' CE1' HD11 ' A' ' 847' ' ' ILE . 19.5 t80 -49.4 -60.91 2.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.3 mm -46.95 -50.01 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.06 -50.17 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -55.23 -41.71 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 843' ' ' TYR . 76.1 mt -62.02 -64.06 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 851' ' ' LEU . . . -51.55 -60.39 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -62.59 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 850' ' ' ASN . 2.6 t30 -112.78 95.77 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 851' ' ' LEU . 3.7 mm? -68.44 127.27 32.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -60.72 168.36 2.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 81.0 p -95.98 132.91 40.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 84.7 p -83.58 172.47 12.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 165.51 -157.25 29.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 2.84 3.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.732 2.288 . . . . 0.0 112.356 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 30.2 p -58.78 136.69 57.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 96.0 p -57.56 -14.63 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 56.6 m -157.1 171.3 20.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 44.0 m -109.12 172.3 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . -117.57 -169.2 14.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 782' ' ' SER . 60.7 m -160.1 157.43 28.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 781' ' ' SER . 4.0 m -35.3 147.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -142.89 -119.46 1.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 786' ' ' GLU . 4.7 tp10 -154.5 126.48 7.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.921 0.391 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.05 93.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 784' ' ' GLU . 17.2 pt-20 -84.99 146.21 27.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.36 141.18 45.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 65.6 m -131.84 127.52 36.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -29.14 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 76.2 m -131.42 -32.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -49.73 -46.73 50.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 793' ' ' GLU . . . -45.87 -60.52 4.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 792' ' ' GLY . 3.7 tp10 -37.08 -46.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.389 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -63.55 -55.21 25.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.495 HG22 HG22 ' A' ' 830' ' ' VAL . 58.8 mt -53.01 -52.8 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -49.45 77.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 7.7 t -55.23 -58.91 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -48.81 -47.26 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 803' ' ' LEU . 22.2 t80 -52.45 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -47.86 -47.29 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -48.04 -61.19 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 47.3 tp -49.89 -62.77 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.934 ' HB3' HD11 ' A' ' 808' ' ' LEU . 66.9 mt -39.47 -63.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 10.5 p -49.68 -40.19 39.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.09 -26.9 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.7 m-70 -83.69 31.41 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 806' ' ' HIS . 16.8 m-70 33.89 54.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 803' ' ' LEU . 72.8 mt -47.28 157.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -143.3 170.56 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.3 p -65.4 -24.62 67.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -101.35 30.18 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 26.3 p -63.15 127.4 31.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 816' ' ' LYS . 1.1 tpm_? -104.62 100.31 9.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.42 ' C ' ' O ' ' A' ' 813' ' ' ARG . 27.0 t-105 -36.5 -47.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 57.9 m -52.97 -42.69 65.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 813' ' ' ARG . 14.4 mmtp -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.79 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -49.32 -37.77 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.406 ' N ' ' CG1' ' A' ' 817' ' ' VAL . 21.9 ttpp -66.88 -47.82 70.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.42 -15.81 62.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.28 -36.93 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 817' ' ' VAL . 30.1 m -82.32 -29.84 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -41.39 -25.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 821' ' ' VAL . 70.6 m -83.96 20.92 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 821' ' ' VAL . 9.6 t70 -128.97 139.91 37.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.7 Cg_endo -69.77 -30.93 21.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -59.67 -35.91 75.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -62.96 -27.9 69.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -77.66 -23.33 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.19 55.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 832' ' ' SER . 43.5 t -73.1 92.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.22 -48.78 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . 0.569 ' O ' HG12 ' A' ' 830' ' ' VAL . 1.1 t -72.24 155.45 40.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 13.6 m -93.64 -42.07 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 12.4 t -48.53 -42.84 34.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . 0.449 ' HB2' ' CG1' ' A' ' 830' ' ' VAL . 78.2 mmm -57.47 -47.8 80.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -54.9 -52.35 63.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.92 -62.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -46.45 -64.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 74.7 mt -47.39 -43.91 23.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.5 -59.19 5.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -51.86 -48.79 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -48.48 -55.45 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 847' ' ' ILE . 14.9 t80 -53.17 -62.33 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 808' ' ' LEU . 31.7 mm -48.21 -46.1 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -52.89 -41.07 64.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -64.85 -44.39 89.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.2 mt -57.31 -65.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.26 11.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -46.1 166.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -69.78 78.47 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.933 HD22 ' N ' ' A' ' 852' ' ' ASP . 0.0 OUTLIER -93.67 179.98 5.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . 0.933 ' N ' HD22 ' A' ' 851' ' ' LEU . 13.9 t0 -137.55 138.04 39.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 38.5 m -101.3 145.05 29.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 57.6 m -68.1 -57.24 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 148.32 126.11 1.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -34.49 14.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 86.2 p -52.59 140.62 22.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 33.6 t -162.65 150.14 13.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 1.5 t 45.61 42.15 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 27.6 t -155.19 139.25 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 136.77 122.41 2.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 2.2 m -117.99 175.08 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 6.2 m -73.52 -55.16 6.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 179.82 173.79 45.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 54.43 51.01 14.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -97.8 121.42 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -105.98 41.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.97 168.39 10.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 10.2 m -83.46 44.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -85.76 -52.22 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.3 t -60.91 -31.23 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . 0.561 ' HG3' HD11 ' A' ' 795' ' ' ILE . 4.7 tpt85 -44.32 -51.67 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -52.31 -54.8 25.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.85 -53.81 52.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -52.67 -59.93 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.561 HD11 ' HG3' ' A' ' 791' ' ' ARG . 23.4 mt -49.62 -40.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -62.52 -49.08 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 5.8 m -55.08 -55.0 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.29 -43.22 67.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 803' ' ' LEU . 16.0 t80 -52.74 -60.25 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -51.03 -54.33 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 805' ' ' ASN . 55.1 mt-10 -43.31 -54.4 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.62 HD21 ' HB ' ' A' ' 821' ' ' VAL . 24.4 tp -55.07 -62.81 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.455 HD11 ' CE2' ' A' ' 799' ' ' PHE . 48.0 mt -41.16 -62.68 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.977 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 26.4 t -49.26 -39.84 32.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 801' ' ' GLU . 33.8 m-20 -63.09 -25.62 68.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.814 ' CE1' HG12 ' A' ' 821' ' ' VAL . 8.8 m-70 -81.15 38.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 806' ' ' HIS . 3.2 t-160 32.11 54.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 843' ' ' TYR . 75.0 mt -47.47 165.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 810' ' ' SER . 0.7 OUTLIER -157.56 165.72 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 809' ' ' ASP . 81.9 p -59.72 -42.54 93.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -89.97 30.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . . . . . . . . . 35.0 t -72.32 125.4 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 813' ' ' ARG . 5.4 mmm180 -98.21 132.59 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.422 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 31.2 t-105 -56.65 -61.27 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.5 m -40.19 -39.89 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -73.42 -64.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.652 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.74 -28.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' ' 821' ' ' VAL . 26.7 ttpt -76.91 -46.04 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.3 -16.71 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -92.81 -31.68 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.814 HG12 ' CE1' ' A' ' 806' ' ' HIS . 34.2 m -89.59 -29.13 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 823' ' ' SER . 20.9 pt-20 -46.16 -45.34 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 21.9 t -48.18 -30.36 4.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.443 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -86.3 140.19 34.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.6 Cg_endo -69.7 -28.81 25.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.352 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -56.68 -37.52 70.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.01 -34.48 74.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.26 -26.3 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.419 ' HB1' HG23 ' A' ' 795' ' ' ILE . . . -45.11 -58.36 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.442 ' O ' ' NH1' ' A' ' 836' ' ' ARG . 59.9 t -66.24 99.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -75.37 -37.01 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 56.1 m -74.2 118.74 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 37.9 t -62.69 -52.25 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.6 m -42.12 -42.37 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.4 mmm -63.82 -42.35 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 830' ' ' VAL . 82.6 mtm-85 -56.08 -55.68 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -63.7 -56.49 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -50.09 -61.72 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 70.3 mt -48.52 -58.32 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -50.9 -62.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -47.77 -45.42 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -52.6 -56.94 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.49 ' CE1' HD12 ' A' ' 808' ' ' LEU . 17.5 t80 -51.34 -60.34 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 9.0 mm -50.56 -50.49 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -47.11 -43.76 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -62.98 -48.89 76.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.413 HD11 ' CE1' ' A' ' 843' ' ' TYR . 79.7 mt -51.92 -66.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -48.09 -50.75 27.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -41.45 -50.82 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -106.79 92.51 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 20.1 mt -51.27 133.47 28.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.15 126.8 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 23.7 t -86.75 99.24 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 1.9 m -148.06 163.03 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -53.25 -68.89 1.4 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 106.13 1.61 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 20.0 m -110.69 134.58 52.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 27.3 p -133.85 42.5 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 71.1 m -65.59 -52.85 49.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 90.5 p -53.18 141.02 24.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 781' ' ' SER . . . 156.49 -39.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 780' ' ' GLY . 97.0 p -34.9 149.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.795 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 1.1 t -171.47 175.17 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -156.59 127.6 2.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -154.84 121.41 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -117.24 171.45 7.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -49.59 -36.3 23.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -82.68 144.68 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 33.1 t -87.42 57.82 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 789' ' ' LYS . 1.7 mmmp? -119.48 -39.78 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.4 t -92.23 -8.34 45.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.04 31.24 4.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -75.67 -51.37 7.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -41.88 -54.93 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -51.23 57.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -54.14 -58.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -44.42 -50.79 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.4 t -52.72 -68.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . 0.561 ' CG ' ' N ' ' A' ' 799' ' ' PHE . 0.1 OUTLIER -41.18 -55.69 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.561 ' N ' ' CG ' ' A' ' 798' ' ' ASP . 20.2 t80 -41.52 -59.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.59 -55.47 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -41.13 -59.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 57.3 tp -50.7 -64.56 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.549 ' HB3' HD11 ' A' ' 808' ' ' LEU . 33.8 mt -41.6 -64.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 82.5 p -47.43 -44.49 24.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -57.08 -28.27 62.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 807' ' ' HIS . 9.8 m-70 -81.09 37.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.4 t-80 31.93 55.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 803' ' ' LEU . 93.3 mt -46.63 153.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.6 OUTLIER -134.7 172.41 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 2.6 t -68.35 -28.25 66.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -106.03 29.19 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 10.5 t -65.4 125.13 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -93.91 142.36 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.485 ' CZ2' ' HB3' ' A' ' 836' ' ' ARG . 28.1 t-105 -69.71 -46.92 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 28.7 t -52.66 -43.61 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -71.29 -62.89 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -46.32 -38.52 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . 0.431 ' HA ' HG22 ' A' ' 821' ' ' VAL . 18.7 tttt -69.37 -44.06 72.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.73 -12.63 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -96.57 -35.57 11.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 817' ' ' VAL . 18.8 m -84.24 -30.13 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -41.39 -24.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 821' ' ' VAL . 64.2 m -85.07 22.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 821' ' ' VAL . 7.3 t70 -133.37 139.87 35.37 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.858 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 53.8 Cg_endo -69.75 -30.94 21.53 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -60.4 -34.93 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -63.29 -25.96 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -74.71 -26.12 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -45.66 -42.38 11.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.49 135.06 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.53 -54.17 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 t -70.81 131.6 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 9.2 t -66.44 -39.72 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 97.6 p -51.11 -39.2 55.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . . . . . . . . . 66.5 mmm -62.94 -49.8 73.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.485 ' HB3' ' CZ2' ' A' ' 814' ' ' TRP . 20.8 mtt85 -53.45 -49.98 66.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.41 -52.56 45.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -56.1 -64.71 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 83.3 mt -44.77 -50.08 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -58.84 -62.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -49.34 -36.62 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -58.27 -57.71 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -52.43 -57.14 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 8.9 mm -51.7 -51.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.28 -45.35 23.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -60.45 -47.2 87.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 75.4 mt -54.42 -64.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -53.26 -42.4 66.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -84.27 42.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -122.1 43.19 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 40.2 mt -97.27 171.13 8.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -76.6 140.35 40.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 27.0 p -134.06 139.88 46.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 11.0 t -104.75 42.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . 132.62 71.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 110.93 2.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.33 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 4.8 m -64.49 -53.67 44.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 5.9 m -100.15 151.58 21.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 23.7 t -139.8 140.67 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' SER . . . . . . . . . . . . . 64.9 m -102.84 48.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . 174.61 59.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 90.6 p -138.11 115.48 11.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' SER . . . . . . . . . . . . . 82.1 p -129.66 116.02 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 70.84 56.21 7.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -152.64 133.27 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 785' ' ' LYS . 0.0 OUTLIER -105.51 38.68 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -121.67 113.71 20.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -119.69 94.13 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 789' ' ' LYS . 19.7 m -85.0 -44.7 12.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 788' ' ' SER . 8.5 mmmm -37.34 -48.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 790' ' ' THR . 9.9 t -138.54 119.19 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . 0.753 ' NH1' HD11 ' A' ' 795' ' ' ILE . 3.7 tpm_? -122.3 -54.41 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . -56.83 -51.04 59.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.73 -53.28 59.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -46.09 -51.41 13.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.753 HD11 ' NH1' ' A' ' 791' ' ' ARG . 50.8 mt -56.23 -48.77 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -54.5 -54.77 36.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 24.2 t -56.83 -56.58 19.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.75 -45.08 63.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 803' ' ' LEU . 18.4 t80 -51.85 -53.51 39.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -53.18 -52.99 57.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -45.16 -51.78 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 821' ' ' VAL . 53.5 tp -55.12 -64.04 0.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.623 ' HB3' HD11 ' A' ' 808' ' ' LEU . 36.2 mt -43.48 -63.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 12.2 t -46.68 -48.05 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -54.11 -29.73 45.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.476 ' O ' ' C ' ' A' ' 807' ' ' HIS . 45.2 m-70 -80.81 38.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 806' ' ' HIS . 23.6 m80 31.01 54.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 803' ' ' LEU . 56.2 mt -43.54 164.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 812' ' ' SER . 0.8 OUTLIER -146.34 172.25 13.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 77.3 p -67.82 -46.28 72.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -90.86 29.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' SER . . . . . 0.47 ' N ' ' OD1' ' A' ' 809' ' ' ASP . 2.7 t -66.75 120.21 13.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -88.25 134.38 33.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' TRP . . . . . 0.44 ' CE3' ' CG1' ' A' ' 817' ' ' VAL . 23.7 t-105 -59.57 -56.31 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 67.0 m -43.33 -44.45 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -70.25 -64.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 821' ' ' VAL . 0.5 OUTLIER -47.84 -27.67 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.32 -48.51 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.82 -14.43 63.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -92.1 -39.56 11.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 817' ' ' VAL . 12.5 m -83.29 -28.93 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 823' ' ' SER . 6.3 pt-20 -48.37 -35.14 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' SER . . . . . 0.486 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 1.4 t -53.2 -30.51 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.447 ' CG ' ' HD2' ' A' ' 825' ' ' PRO . 7.5 t70 -87.85 140.34 31.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 824' ' ' ASP . 54.0 Cg_endo -69.8 -19.28 36.16 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -66.02 -32.5 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 821' ' ' VAL . 2.0 t80 -70.61 -15.15 62.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -85.17 -10.46 56.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' ' 795' ' ' ILE . . . -65.89 -40.46 91.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 795' ' ' ILE . 92.7 t -77.32 102.14 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -76.67 -40.3 49.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 835' ' ' MET . 70.9 m -72.69 117.54 14.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' SER . . . . . . . . . . . . . 78.6 p -61.13 -40.8 95.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 54.3 p -55.91 -35.07 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' MET . . . . . 0.474 ' CG ' ' HB2' ' A' ' 832' ' ' SER . 89.4 mmm -62.69 -44.65 95.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . 0.412 ' HB3' ' CH2' ' A' ' 814' ' ' TRP . 62.8 mtm180 -63.43 -55.97 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.64 -50.25 72.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.79 -59.51 5.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 73.1 mt -50.32 -56.99 8.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -54.91 -59.79 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -48.75 -41.81 33.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -56.78 -53.74 54.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' A' ' 847' ' ' ILE . 10.3 t80 -54.82 -56.56 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.21 -49.91 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.13 -45.33 32.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.53 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 843' ' ' TYR . 81.6 mt -56.55 -64.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' ALA . . . . . . . . . . . . . . . -50.29 -46.59 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -54.87 -53.33 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -83.13 84.14 7.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.84 137.74 57.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -87.87 -56.01 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 12.9 t -50.33 153.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.806 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' SER . . . . . . . . . . . . . 17.6 m -155.43 118.91 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' GLY . . . . . . . . . . . . . . . -164.54 -102.55 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.434 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.03 28.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.248 . . . . 0.0 112.358 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' SER . . . . . . . . . . . . . 70.6 m -56.5 137.32 53.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 83.2 p -94.15 120.3 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.44 -179.998 . . . . . . . . 0 0 . 1 stop_ save_