data_5vwl_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 5vwl _Structure_validation_residue.Date_analyzed 2017-11-03 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 ' 768' ' ' TYR . . . . . . . . . . . . . 17.9 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.955 0.407 . . . . 75.32 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.81 -38.26 64.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 72.51 110.826 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -64.21 -57.99 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.24 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 19.7 mt -50.85 -47.66 60.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -69.2 -28.8 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.35 110.849 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -69.02 -56.91 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.913 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.0 -46.26 88.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.902 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.47 -50.85 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 74.23 110.928 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.3 mt -55.32 -58.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.093 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 98.1 t -52.13 -58.61 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 71.43 111.137 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 46.5 p -51.71 -49.2 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 74.43 111.144 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -52.17 -53.1 47.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.35 -36.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.03 111.128 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.38 -45.17 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.133 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.885 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.825 0.345 . . . . 73.34 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -63.88 -33.74 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.32 -58.54 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.932 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -59.94 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.909 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.9 t -51.96 -61.3 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.858 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.41 -32.21 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.916 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -62.89 -48.78 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.26 -34.87 75.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -69.14 -57.77 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.927 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.88 -45.09 86.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.871 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 14.9 t -63.16 -51.09 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 74.15 110.915 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.43 47.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 74.13 111.099 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.06 -37.22 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.13 111.122 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.87 -35.89 81.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.86 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.13 -43.18 68.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.922 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.55 -50.83 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -60.63 -58.23 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 75.04 110.864 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.33 -43.25 53.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 60.4 111.127 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 48.9 m -63.04 -41.18 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.35 111.152 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.076 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.59 -35.6 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 73.24 111.138 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.1 -28.11 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.23 111.092 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 69.9 t -86.51 -25.78 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 74.15 111.127 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 70.45 111.102 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.798 0.332 . . . . 75.41 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.1 -45.58 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.893 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -55.33 -54.4 44.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.54 110.914 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.45 -41.46 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.13 111.119 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.33 -51.14 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.148 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.893 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.9 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 73.11 111.13 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.74 -44.66 63.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.872 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.49 -54.7 28.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.33 110.885 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.27 -55.26 29.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.124 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -53.77 -60.07 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 72.22 111.082 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -54.36 -32.72 57.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.903 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -52.39 60.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.86 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.01 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.01 111.099 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 40.4 mm -73.26 -36.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -69.47 -48.06 61.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.91 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 71.4 110.865 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.775 0.321 . . . . 74.24 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -52.06 -43.73 63.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.936 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.1 -49.14 49.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.04 112.531 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 37.8 tp -51.97 -46.88 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 74.1 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -74.05 -33.75 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -63.3 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.87 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -92.98 15.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.173 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.892 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.8 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.87 0.367 . . . . 74.13 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.97 -39.71 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 73.21 110.857 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -64.55 -58.06 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.84 -47.39 60.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.919 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -69.67 -28.76 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.31 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.76 -57.28 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.915 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.85 -41.01 96.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.872 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 31.0 tp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.946 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.09 -51.77 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.936 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.2 mt -54.23 -57.49 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.05 111.151 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.69 -56.96 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 62.42 111.147 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 43.2 p -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.077 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -62.53 -51.93 65.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 70.32 110.853 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.15 -40.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.35 111.144 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.17 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.154 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 64.32 110.912 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.806 0.336 . . . . 73.55 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -58.18 -33.13 68.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.899 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -60.07 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.35 110.896 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -58.13 -46.85 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.942 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -52.11 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.899 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -58.35 -33.86 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.22 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.17 74.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.884 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.86 -35.87 79.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.885 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -66.84 -59.94 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.897 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.55 -44.5 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 72.54 110.844 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.2 t -63.49 -51.18 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 64.23 110.86 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.32 -52.79 42.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 75.31 111.139 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.84 -37.32 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.15 111.092 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.74 -35.85 81.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.2 tt -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 75.3 110.898 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.43 -50.88 68.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.3 110.937 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.57 -58.24 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.922 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.28 -43.12 53.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 60.34 111.07 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 48.8 m -63.05 -41.57 99.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 65.33 111.116 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.53 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.072 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.7 -35.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.35 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.31 45.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 61.01 111.082 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 72.5 t -86.48 -31.38 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 71.23 111.118 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 60.41 111.109 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.829 0.347 . . . . 74.01 111.177 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -53.62 -32.82 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.24 110.909 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -67.23 -55.81 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.83 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 98.3 t -56.85 -41.04 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.112 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 17.9 mt -67.6 -47.98 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.128 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.12 -35.9 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.43 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.141 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.7 tp -51.66 -37.12 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.922 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.77 -55.97 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.91 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.07 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.1 111.125 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -70.53 -53.85 14.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.51 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -52.16 -50.38 61.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.909 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -65.3 -46.05 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.852 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.9 -53.19 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 73.34 111.092 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 15.6 tt -70.94 -30.55 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.23 111.129 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.24 -26.33 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.862 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.834 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.73 0.3 . . . . 74.1 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -36.36 51.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.52 -53.96 28.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 74.54 112.495 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.84 -39.08 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 70.53 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -74.29 -31.13 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.836 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -69.4 -39.98 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.851 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 25.7 pt -92.29 15.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.4 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.55 110.949 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.939 0.4 . . . . 74.53 110.945 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.68 -47.85 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 74.52 110.829 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.96 -57.99 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.34 110.849 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.2 mp -49.45 -52.34 29.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.922 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -61.63 -33.46 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -58.14 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.897 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.1 -41.93 89.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.91 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -35.53 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.874 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.29 -59.6 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.914 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 4.7 tp -52.12 -43.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.05 111.137 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.93 -63.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.112 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.3 m -51.52 -34.34 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 75.13 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -58.02 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.888 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.3 mm -57.92 -30.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.119 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 95.3 t -68.3 -55.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.134 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.898 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.736 0.303 . . . . 75.54 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.55 -35.48 76.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 55.04 110.921 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -62.54 -60.25 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.888 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -56.03 -49.38 73.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -61.09 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.85 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.934 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -50.14 73.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.33 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.985 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -68.05 -58.88 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.94 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.22 -44.73 83.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 48.2 t -63.34 -51.2 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.31 110.851 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.62 44.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 70.4 111.086 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.0 -37.25 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 74.54 111.162 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.78 -35.76 80.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.25 -43.27 67.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 74.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.45 -50.88 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.964 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.75 -58.18 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.45 110.877 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.04 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 47.0 m -63.07 -42.02 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.16 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.05 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.34 111.092 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -67.86 -36.39 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 72.42 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.05 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 74.13 111.061 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.4 -26.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 74.32 111.15 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 72.53 111.122 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 61.11 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -52.09 -46.52 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.923 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -59.7 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.846 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.3 -61.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.185 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.75 -31.82 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.33 111.141 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -62.79 -45.15 94.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.24 -39.24 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.54 111.122 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.47 -46.46 86.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.877 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -73.07 -33.61 65.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.61 -49.43 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 55.22 111.113 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.78 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.21 111.049 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.2 -52.05 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.95 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -64.42 -42.66 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.872 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.11 -58.11 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 52.42 111.116 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.5 tp -66.99 -30.64 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 72.23 111.135 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -68.46 -29.38 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.849 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.775 0.322 . . . . 72.23 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -51.96 -49.52 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.886 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.38 -42.86 81.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 74.45 112.506 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 57.6 mt -52.84 -48.76 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 75.42 110.933 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.42 -29.51 47.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.883 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -60.95 -38.96 87.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.31 110.86 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.2 15.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.128 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.904 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.881 0.372 . . . . 75.52 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -52.16 -38.62 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.03 110.88 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -65.65 -56.54 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 52.0 mt -49.98 -49.56 50.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.4 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -67.37 -32.31 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -63.68 -58.82 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 25.8 tp -61.45 -44.96 96.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.14 -32.24 72.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.933 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.64 -58.6 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.34 110.899 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.2 tp -54.34 -40.61 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 65.53 111.102 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.93 -58.1 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.135 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 39.9 p -55.29 -33.89 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.135 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -58.0 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.847 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.3 mt -54.34 -37.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.097 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.72 -55.36 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 64.5 111.117 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 75.4 110.856 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.729 0.299 . . . . 75.33 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.85 -37.13 83.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 64.45 110.966 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.61 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -56.63 -47.47 79.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.958 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.7 t -50.9 -61.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.882 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.91 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.99 -45.97 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.89 -35.97 69.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.904 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -71.61 -52.69 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.935 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.69 -45.47 94.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.858 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 20.6 t -64.15 -50.38 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.833 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.92 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 74.1 111.087 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 64.3 t -63.6 -37.41 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 75.12 111.159 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -66.81 -35.63 80.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.911 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.33 -43.38 67.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.45 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.53 110.932 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.78 -58.18 9.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 65.5 110.903 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.2 53.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.44 111.085 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 49.5 m -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 65.01 111.15 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.19 93.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 70.24 111.074 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.94 -35.48 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.27 -27.66 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 70.03 111.098 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 73.3 t -86.53 -27.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 73.25 111.153 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.22 111.037 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.848 0.356 . . . . 74.4 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.89 -36.05 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.901 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -64.38 -60.17 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.5 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.41 -46.19 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.153 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.88 -34.02 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.132 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.33 -49.72 70.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.09 -34.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.3 tp -62.64 -58.67 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.915 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -63.04 -41.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.877 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.9 -55.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.105 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.72 -54.67 38.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.14 111.092 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.91 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -56.69 -53.04 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.895 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 72.44 111.102 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.9 mt -59.33 -37.15 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.54 111.123 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -83.11 -26.18 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.846 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 24.9 ttp85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.737 0.303 . . . . 75.14 110.835 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -52.23 -52.0 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.911 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.72 -43.99 82.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 71.11 112.495 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.69 -49.06 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 73.12 110.908 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -78.19 -34.63 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.864 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -52.39 -49.82 63.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.845 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 39.2 pt -76.9 -20.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.34 111.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 64.42 110.877 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.934 0.397 . . . . 75.14 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -43.62 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 74.53 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -60.79 -57.92 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.83 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.12 -52.01 38.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -61.43 -32.19 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.844 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -66.06 -59.11 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.32 110.923 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.21 -46.74 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.911 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.94 -51.65 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.925 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -47.81 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.91 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.59 -39.16 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.44 111.138 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.56 -62.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 75.11 111.129 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 6.3 t -54.12 -37.85 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.19 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -60.9 -56.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.829 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 32.4 mt -57.14 -40.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 71.52 111.128 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.08 -46.53 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.136 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.862 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.748 0.309 . . . . 72.25 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.15 -59.93 4.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.929 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -58.92 -47.42 85.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 75.11 110.913 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.89 -61.16 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.12 110.848 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 74.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.47 -50.75 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.867 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.7 -35.5 78.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.51 -60.02 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.25 110.854 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -56.78 -44.29 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.3 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 16.1 t -63.51 -51.58 64.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.811 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.27 -52.68 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.24 111.125 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.79 -37.32 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.1 111.156 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.67 -36.23 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.6 tp -70.62 -43.55 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.931 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.14 -51.53 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.959 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -59.65 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.903 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.9 -43.29 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.097 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.8 m -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.43 111.119 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.33 -33.41 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 72.14 111.095 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.22 -34.43 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.136 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.07 -25.89 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 71.43 111.126 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.6 -26.35 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.107 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.13 111.075 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.767 0.318 . . . . 72.43 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.95 -35.96 59.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 74.12 110.895 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -64.55 -60.05 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.878 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.66 -39.96 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.143 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 54.8 mt -69.06 -55.92 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.165 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -51.9 -39.68 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 75.35 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.91 -50.21 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 70.32 111.154 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.85 -53.94 34.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.893 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.09 -40.57 94.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.889 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.47 -52.66 64.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.08 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.21 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.31 111.078 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -61.23 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 63.44 110.907 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -49.59 -48.59 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 63.02 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.19 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.2 111.13 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.96 -14.84 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.25 111.086 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -74.1 -50.43 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.01 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.738 0.304 . . . . 72.12 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.95 -49.38 63.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 65.23 110.924 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.13 -46.23 88.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 72.23 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.79 -42.37 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 74.53 110.9 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -80.37 -28.55 37.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.904 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -66.77 -34.24 77.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 71.52 110.868 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.2 pt -92.28 15.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.131 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.872 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.912 0.387 . . . . 75.43 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -58.55 -42.46 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -63.6 -57.77 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 26.5 tp -50.89 -49.88 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.2 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.55 -28.08 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.7 -54.68 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.845 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.44 -44.08 92.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 72.41 110.928 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -44.95 96.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 71.53 110.924 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.95 -52.58 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.936 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 22.3 mt -53.93 -55.94 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.15 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.74 -57.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.129 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 19.5 p -53.96 -40.36 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.134 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -59.32 -50.43 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.876 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.1 -37.78 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.35 111.08 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 89.7 t -65.61 -37.7 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.152 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.54 110.88 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.768 0.318 . . . . 72.43 110.936 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.83 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.37 -59.32 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.94 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -59.42 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 74.22 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.2 t -51.89 -61.36 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 71.45 110.865 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -61.29 -32.46 72.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -62.79 -48.76 77.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.887 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -69.1 -58.23 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.863 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -56.7 -45.04 82.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.9 t -64.06 -49.52 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 65.22 110.887 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.62 -53.48 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 72.23 111.124 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.97 -38.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.155 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.4 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.927 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.67 -47.1 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.909 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -68.73 -60.65 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.4 110.898 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.8 61.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.088 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 97.7 m -64.45 -41.37 96.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 73.23 111.116 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 73.34 111.135 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 44.8 mm -72.36 -34.91 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 75.43 111.143 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -83.75 -25.63 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.51 111.103 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.3 p -86.72 -26.59 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.118 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 64.1 111.106 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 74.12 111.113 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.09 -34.77 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 70.21 110.869 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -65.55 -56.97 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.896 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.0 -44.9 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.166 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.28 -47.95 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.25 111.148 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -57.91 -36.42 72.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.939 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.55 -60.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.04 111.092 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -37.81 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.923 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . 0.402 ' NE2' ' HE ' ' A' ' 838' ' ' ARG . 3.6 tp60 -73.23 -55.61 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.55 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.13 111.137 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -69.42 -52.79 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 44.13 111.072 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -52.11 -52.54 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 72.31 110.939 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.402 ' HE ' ' NE2' ' A' ' 834' ' ' GLN . 47.4 mtt-85 -64.01 -44.71 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 74.53 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -52.85 -57.68 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.7 tp -66.97 -30.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 -69.09 -27.89 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.863 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 73.45 110.89 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.783 0.325 . . . . 63.34 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -51.98 -43.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.69 -53.54 30.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.16 -40.55 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.326 . . . . 73.35 110.879 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.13 -33.07 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 65.14 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -62.03 -44.99 95.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 72.54 110.88 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.6 -35.8 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 74.41 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 65.55 110.93 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 27.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.901 0.381 . . . . 75.42 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -52.21 -40.67 61.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 64.23 110.833 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.78 -57.71 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 55.15 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 11.6 tp -49.65 -50.31 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -64.3 -32.64 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.87 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.34 -58.48 7.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 75.23 110.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.1 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.895 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.71 -30.7 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 73.2 110.949 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 56.9 tp -70.53 -59.16 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.892 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 12.6 pt -55.17 -39.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.05 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.3 -63.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.53 111.159 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.8 m -49.15 -34.35 14.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 43.4 111.144 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -69.67 -52.62 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 2.3 tp -60.44 -25.93 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.113 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 46.9 t -76.88 -52.02 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 74.2 111.104 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.901 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.809 0.337 . . . . 75.52 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -63.58 -33.68 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -62.51 -59.4 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.98 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -59.22 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.884 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.5 t -51.86 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 63.22 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.87 -35.02 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 73.42 110.904 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.6 -47.25 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 74.11 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 30.4 mt -68.98 -37.42 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.04 110.92 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.11 -58.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.909 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -57.64 -44.22 85.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.8 t -63.99 -51.14 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 71.2 110.833 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.17 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.44 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.29 -37.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.132 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.54 -35.92 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 65.52 110.9 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.1 -43.36 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.888 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 31.4 mt -63.31 -50.88 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.924 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -60.36 -58.3 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.88 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.61 53.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.039 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 47.8 m -63.22 -41.79 99.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 74.51 111.103 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.31 93.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 64.13 111.122 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.58 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.87 48.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 64.23 111.153 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 70.4 t -86.54 -26.05 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 72.43 111.08 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 71.22 111.139 179.843 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 74.34 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -51.66 -38.26 54.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 65.3 110.872 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -62.0 -60.17 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.88 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.58 -44.9 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.076 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.5 mm -66.92 -33.77 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 73.23 111.125 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.36 -47.36 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.92 -34.44 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 75.41 111.163 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.37 -52.71 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.935 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -69.92 -41.12 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.96 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.62 88.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.107 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.36 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 64.43 111.115 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -46.17 84.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.935 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.0 -48.16 81.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.814 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.8 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.14 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.08 -30.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.33 111.114 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -71.36 -31.0 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.871 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.881 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.737 0.303 . . . . 71.41 110.858 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.08 -32.14 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.882 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.65 26.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 73.11 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 74.3 110.925 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.67 -36.79 70.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.853 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -65.81 -43.68 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.815 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 43.3 pt -72.03 -25.78 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 74.51 111.161 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.45 110.914 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.949 0.405 . . . . 75.55 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -52.23 -39.17 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.845 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.98 -58.02 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.84 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.7 -48.82 58.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -66.75 -29.72 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.881 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -68.12 -58.9 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.43 -43.91 96.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 64.32 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.907 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.48 -54.57 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.937 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.33 -56.79 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 72.43 111.156 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 89.3 t -51.75 -59.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 74.21 111.133 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 53.5 p -51.78 -48.54 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.154 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -53.81 -52.25 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.914 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.36 -39.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.157 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.54 -44.49 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.1 111.122 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.914 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.746 0.308 . . . . 75.14 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.37 -38.81 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.929 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.18 -60.22 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.958 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -58.39 -47.59 83.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 74.45 110.932 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.6 t -51.72 -61.24 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.829 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.02 -33.82 69.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.01 110.905 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -50.42 73.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.04 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.86 -35.37 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.934 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 71.52 110.855 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.8 -44.45 81.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 71.34 110.893 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.0 t -63.37 -51.46 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.871 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.25 -52.79 41.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.75 -37.37 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 75.43 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -66.63 -36.21 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.65 -43.49 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.15 -51.55 65.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 73.51 110.959 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -58.7 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.882 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.31 48.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.098 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.8 m -62.54 -40.85 98.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.23 111.156 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.25 -33.42 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.153 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.26 -34.4 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 73.02 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.85 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.54 111.051 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.3 p -86.59 -26.36 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.147 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 55.33 111.146 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.798 0.332 . . . . 71.25 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -33.28 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.886 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -66.92 -60.09 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 71.9 t -53.66 -43.83 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.1 111.131 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.5 mt -64.91 -54.75 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 75.42 111.189 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -51.93 -36.67 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 88.5 t -72.55 -49.2 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.133 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -50.56 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.931 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -68.0 -44.0 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.865 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -56.14 -58.82 6.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 72.24 111.112 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.11 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.078 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -51.02 -64.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.94 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -43.52 61.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.894 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.48 -62.38 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.112 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.5 tp -69.62 -14.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.44 111.119 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -67.64 -52.19 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.896 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.85 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.752 0.31 . . . . 74.21 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -52.02 -50.9 60.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.881 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.88 -44.11 80.55 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 73.11 112.509 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 41.7 tp -51.68 -48.77 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 72.11 110.959 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.19 -35.15 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 60.14 110.913 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -52.09 -49.63 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.55 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 37.3 pt -77.48 -20.24 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.14 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 75.24 110.971 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 14.3 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.922 0.391 . . . . 75.14 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -52.74 -38.15 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.821 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.99 -57.94 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.11 110.847 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.76 -48.93 59.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -68.09 -28.9 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.839 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.55 -51.13 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.848 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.85 -44.12 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.16 -43.59 97.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.4 110.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.7 -53.06 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.944 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 27.0 mt -55.79 -59.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.124 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.77 -59.19 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 71.11 111.122 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 89.2 m -51.68 -47.78 63.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.131 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -52.14 -55.26 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.43 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.1 -43.09 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.169 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.49 -42.97 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.35 111.17 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.939 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.743 0.306 . . . . 74.3 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -54.57 -33.81 60.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.55 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -60.36 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 73.44 110.937 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -61.59 -47.34 85.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.927 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.2 t -51.86 -58.37 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.914 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -60.86 -34.58 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.956 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -49.79 76.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.932 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -36.37 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 74.15 110.937 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -66.02 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.874 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -57.41 -44.19 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.829 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 19.8 t -63.61 -51.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.02 110.83 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.45 45.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.087 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.08 -37.28 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 75.32 111.15 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -66.81 -35.9 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.867 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.07 -43.37 67.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.43 -50.78 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.873 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.47 -58.3 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.89 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -42.77 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.106 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 48.5 m -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 60.2 111.152 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.08 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 47.8 mm -67.98 -35.69 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.125 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.1 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.54 111.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 78.5 t -86.53 -27.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.01 111.098 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.52 111.073 179.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.337 . . . . 71.13 111.148 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.42 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.869 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -62.78 -59.46 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.858 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.31 -39.27 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.091 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.29 -59.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.124 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -51.76 -38.51 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.88 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 68.3 t -69.85 -43.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.15 111.133 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -56.88 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -59.66 -46.93 87.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.3 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.1 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.106 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.51 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 63.14 111.08 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.48 -60.19 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.918 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -50.83 -45.13 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 74.14 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 18.2 mt -64.6 -31.44 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -75.43 -38.74 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 71.23 110.833 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.798 0.332 . . . . 74.42 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -52.33 -37.58 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 64.04 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.61 -54.38 26.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 71.14 112.444 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -45.96 79.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 74.34 110.924 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -37.53 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.864 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -58.75 -47.87 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.907 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -73.73 -32.52 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.11 111.115 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.869 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.4 t80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.885 0.374 . . . . 74.34 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.37 -41.59 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.12 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -62.56 -57.95 9.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.897 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.89 -50.83 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.919 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -64.28 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.848 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -58.81 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.14 -46.94 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.874 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.0 tp -61.12 -32.15 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.929 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 36.7 tp -69.48 -60.35 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.944 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 9.9 tt -53.39 -41.32 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.81 -62.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 61.4 111.117 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 66.8 p -52.87 -28.68 24.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 75.11 111.118 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -70.55 -59.2 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 41.4 mm -58.69 -31.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 96.6 t -71.92 -50.15 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.21 111.134 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 63.02 110.875 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.772 0.32 . . . . 75.43 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -54.48 -33.97 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.948 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -59.16 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -58.27 -47.45 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 74.41 110.897 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.4 t -52.29 -61.09 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.24 110.888 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -57.98 -33.3 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.93 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -50.34 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 60.21 110.85 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -67.09 -59.74 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.884 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -56.87 -44.58 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 61.11 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.7 t -63.22 -51.55 65.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 61.54 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.76 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.34 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.76 -37.36 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 73.25 111.121 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.62 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.66 -43.46 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.926 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.26 -51.52 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.91 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -59.59 -58.71 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.913 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.88 -43.27 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 71.2 111.081 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.1 m -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 73.01 111.171 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.25 -33.48 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.115 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.28 -34.34 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.5 111.129 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.17 -25.82 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.075 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.57 -26.39 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.144 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.113 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.799 0.333 . . . . 73.42 111.166 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.6 -36.19 44.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.873 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -63.92 -58.93 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 95.9 t -54.01 -41.55 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.51 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.37 -34.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 74.25 111.144 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.42 -47.81 66.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.91 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.16 -38.67 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 75.4 111.106 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.7 -40.98 84.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 65.23 110.942 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -53.29 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.55 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 73.43 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -55.98 -59.64 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 65.21 111.057 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.47 -40.29 74.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 71.34 110.909 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.96 -50.86 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 74.25 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.14 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.4 111.119 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 20.8 mt -59.82 -39.57 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 63.1 111.102 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -83.32 -25.81 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.741 0.305 . . . . 75.52 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -56.8 -41.44 77.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 65.15 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.81 -49.72 57.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 63.35 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.15 -44.39 83.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 75.03 110.906 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -73.45 -29.11 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.914 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -72.21 -43.06 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.858 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 35.6 pt -73.4 -26.05 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.43 111.153 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 75.12 110.946 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.898 0.38 . . . . 74.53 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -52.8 -40.52 63.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 74.43 110.874 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -62.29 -57.98 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.55 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.91 -50.43 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.914 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -63.86 -32.27 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -63.19 -58.82 5.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.865 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 15.3 tp -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.894 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -32.11 71.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 72.35 110.958 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.68 -61.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.952 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.9 tt -52.98 -42.9 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.122 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.87 -63.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.23 111.103 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.2 m -52.0 -44.36 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.03 111.104 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -56.17 -53.76 53.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 75.04 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 30.7 mt -61.01 -42.04 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.163 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.47 -43.69 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.163 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.52 110.856 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.754 0.312 . . . . 74.31 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.82 -34.34 77.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.884 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.86 -59.89 4.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.949 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -58.21 -47.75 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.928 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.85 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.84 -33.68 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.925 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -50.46 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.861 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.918 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.898 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -56.96 -44.31 82.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.0 t -63.52 -51.41 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.867 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.56 44.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 74.5 111.156 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.05 -37.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.5 111.103 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.73 -35.88 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.17 -43.19 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.923 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.51 -50.76 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 64.34 110.945 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.66 -58.25 9.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -43.15 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 71.1 111.144 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.0 m -63.13 -41.26 99.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.122 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.39 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 74.3 111.077 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.59 -35.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.119 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.06 -28.01 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.118 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 71.9 t -86.52 -25.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 73.53 111.138 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 63.52 111.096 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.813 0.34 . . . . 73.43 111.165 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -51.83 -51.85 53.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.861 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -51.93 -51.5 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.885 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.38 -37.73 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.131 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 20.4 mt -67.27 -53.15 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.122 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.33 -37.04 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.851 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.61 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 72.44 111.099 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -39.88 59.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.908 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -70.49 -55.44 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.54 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.31 111.122 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.59 -55.31 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.15 111.15 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -51.79 -57.09 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.95 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -53.87 -45.89 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 73.43 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.51 -61.72 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.41 111.12 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.72 -17.78 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.146 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -74.79 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.857 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.785 0.326 . . . . 73.13 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -51.93 -57.91 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.913 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.2 91.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 74.3 112.48 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 18.2 tp -51.94 -42.69 63.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.76 0.314 . . . . 74.14 110.929 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -86.21 -33.37 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.875 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.59 70.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.843 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.35 -13.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.35 111.112 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.93 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 21.0 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.912 0.387 . . . . 72.41 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.98 -41.79 75.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 72.25 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -62.39 -57.95 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.898 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.93 -50.23 47.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.918 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -64.11 -32.2 73.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.848 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.24 -58.88 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 62.35 110.829 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 33.0 tp -59.41 -47.59 84.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.941 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.01 -32.06 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.951 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.01 -61.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.929 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 4.8 tp -52.94 -42.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.146 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.33 -63.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.2 111.094 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -51.39 -33.19 28.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 72.53 111.184 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -66.25 -56.24 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.82 -27.77 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.31 111.168 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.35 -53.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.122 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.926 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.768 0.318 . . . . 73.52 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -57.43 -33.85 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 60.12 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -60.12 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.885 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -57.27 -47.4 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.2 t -51.85 -61.22 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.826 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -57.83 -33.37 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 74.24 110.927 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -50.48 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.94 -35.25 78.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 64.11 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -67.19 -59.72 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.34 110.928 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -56.74 -44.66 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.885 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.3 t -63.3 -51.25 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.84 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.78 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.113 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.75 -37.4 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.22 111.109 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -66.54 -36.28 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.65 -43.45 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 64.32 110.961 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.17 -51.54 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 61.41 110.936 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -58.7 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.28 48.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 71.44 111.097 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.59 -40.79 98.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.141 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.3 -33.42 74.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.127 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.29 -34.36 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 75.2 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.12 -25.92 29.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.067 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.58 -26.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 71.24 111.085 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.131 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 63.53 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.19 -39.29 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.841 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -53.15 56.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.51 110.87 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.1 -52.45 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.73 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 71.3 111.17 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 70.3 t -74.75 -38.59 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.44 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.33 -47.16 87.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 74.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -73.45 -49.36 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.86 -42.94 76.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.12 111.136 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -72.14 -55.35 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.092 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.25 -44.67 65.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 74.43 110.896 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -70.7 -43.95 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 70.31 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.41 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.88 -32.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 74.35 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -67.87 -28.13 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.1 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.863 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.769 0.318 . . . . 73.24 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.19 -47.96 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.14 -51.4 23.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 63.2 112.521 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.72 -23.01 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 75.13 110.934 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -91.39 -49.13 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.868 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -59.65 -26.07 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.851 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.2 pp -90.13 -24.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.918 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.937 0.398 . . . . 75.23 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.26 -41.27 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 72.53 110.844 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -61.72 -57.55 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.91 -51.15 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.908 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -28.54 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.898 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.97 -57.53 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.886 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -43.91 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.894 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.08 -40.76 98.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.908 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.62 -54.86 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.9 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 42.4 mm -56.82 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.15 111.157 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 93.6 t -51.57 -58.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.15 111.115 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -53.12 -47.52 68.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.1 -52.73 49.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.82 -44.11 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.115 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 61.6 t -55.22 -42.06 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.35 111.097 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.891 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.761 0.315 . . . . 73.24 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.05 -32.92 74.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 60.23 110.935 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -62.87 -59.15 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.909 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -59.84 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 72.34 110.926 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.3 t -52.06 -61.27 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.871 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -61.45 -31.93 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 75.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.13 -48.5 78.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 72.43 110.872 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.38 -35.1 75.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.14 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -69.32 -57.86 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.35 110.896 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -57.75 -45.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.89 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.8 t -63.13 -51.13 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.31 110.857 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.44 -52.56 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 42.31 111.096 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.95 -37.23 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.43 111.139 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -66.88 -35.87 81.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 73.31 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.11 -43.21 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.954 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.55 -50.87 67.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.22 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.63 -58.29 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.833 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.24 52.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.081 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 49.3 m -63.05 -41.26 99.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 72.51 111.153 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.45 93.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 55.34 111.07 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.65 -35.56 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 75.34 111.125 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.15 -28.05 48.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 61.11 111.105 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 71.1 t -86.59 -25.78 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.103 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.128 179.839 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.833 0.349 . . . . 74.41 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.95 -43.07 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.01 110.88 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -59.03 -51.43 70.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.833 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 49.5 t -57.04 -59.34 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.51 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -30.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 75.05 111.168 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -67.06 -45.7 76.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.52 110.869 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.34 -39.08 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 70.25 111.142 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.85 -55.58 14.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.94 -36.35 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.928 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -70.54 -55.11 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.43 111.111 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -50.35 -53.16 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 72.33 111.153 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . 0.406 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -62.47 -49.57 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.885 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -52.7 -28.42 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.84 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -80.41 -49.42 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.05 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 837' ' ' TYR . 1.0 OUTLIER -65.8 -15.77 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.106 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -95.8 -42.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.839 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.784 0.326 . . . . 75.43 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -52.38 -29.88 26.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.52 110.924 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.88 -53.96 10.41 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 71.41 112.479 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.46 -35.15 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.724 0.297 . . . . 74.13 110.83 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -76.18 -37.17 58.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.87 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -65.61 -40.96 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 32.3 pt -74.62 -25.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.082 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.872 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.885 0.374 . . . . 74.34 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -52.12 -38.8 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.14 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -63.21 -58.08 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.54 110.912 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.61 -48.78 57.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -66.92 -29.82 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.904 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -68.1 -58.94 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.38 -43.84 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.946 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.5 tt -62.34 -42.32 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.57 -54.43 43.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.906 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.44 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.162 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.66 -59.81 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.13 111.152 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 53.5 p -51.97 -46.77 64.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.171 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -53.07 -60.59 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.1 mm -52.01 -42.95 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.21 111.163 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.09 -45.99 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 75.05 111.166 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 70.22 110.858 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 54.13 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.881 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -60.26 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 72.35 110.891 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -57.57 -47.62 81.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.908 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.0 t -51.5 -61.33 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.04 110.847 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -57.65 -33.97 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 71.14 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.48 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.899 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.43 -35.71 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.876 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -66.92 -59.95 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.912 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.82 -44.42 77.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.9 t -64.39 -49.87 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.83 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.54 -53.37 38.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.093 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 68.4 t -63.18 -38.44 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 72.11 111.101 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -65.61 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.905 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -47.0 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.855 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -34.92 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.904 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.33 -60.35 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.83 -41.81 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.167 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 98.5 m -64.9 -41.74 95.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.44 111.106 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.71 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.112 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.72 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -75.54 -27.47 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.31 111.05 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 75.2 t -86.63 -26.07 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 74.11 111.11 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.14 111.1 179.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.747 0.308 . . . . 65.12 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -52.92 -41.53 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 74.15 110.922 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -60.74 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.854 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -57.26 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.147 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -30.86 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.34 111.106 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.3 -63.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.22 -35.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.144 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.51 -60.66 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 64.42 110.883 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.59 -34.28 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.21 32.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 72.11 111.089 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.72 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.099 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.24 -40.27 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.946 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -57.51 -50.09 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.14 110.84 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.81 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.13 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 32.6 mm -64.34 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 75.14 111.128 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -71.2 -41.97 69.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.893 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 70.3 110.84 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 75.53 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -60.11 -30.92 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 75.15 110.901 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -74.87 -54.06 6.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 75.14 112.464 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.76 -30.51 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 73.43 110.891 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -79.42 -44.83 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.875 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 71.14 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.3 pt -68.73 -28.02 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.3 111.137 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.14 110.903 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 34.8 t80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.886 0.374 . . . . 71.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -39.1 59.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.829 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -62.77 -58.29 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.854 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.9 tp -50.65 -48.63 58.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.11 110.903 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.844 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.8 -58.92 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.61 -42.17 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 70.23 110.967 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.53 -45.61 91.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.93 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.39 -54.45 40.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 75.42 110.909 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.69 -60.09 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.4 111.125 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 91.2 t -51.53 -58.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 64.34 111.169 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 98.2 m -51.73 -47.82 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.147 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.27 -55.57 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.01 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.58 -44.32 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 73.02 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.71 -42.38 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 63.41 111.149 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.03 110.926 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.769 0.318 . . . . 72.15 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.48 -31.02 67.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.868 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -60.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 72.2 110.954 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -58.79 -47.32 85.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 74.4 110.863 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.5 t -52.06 -61.01 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.879 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -58.48 -33.26 69.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.878 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -49.76 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.921 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.27 -34.98 77.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 75.23 110.927 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -68.04 -58.98 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.899 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -57.15 -44.87 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 65.04 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 27.7 t -63.13 -51.41 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.01 110.83 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.7 43.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 63.54 111.081 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.76 -37.33 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 61.22 111.138 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.66 -36.3 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 61.04 110.852 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.61 -43.44 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.91 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.25 -51.55 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 65.12 110.95 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -59.65 -58.66 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 75.11 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.32 49.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.2 m -62.64 -40.6 97.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 75.32 111.168 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.46 74.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.13 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.3 -34.31 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.152 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.2 -25.72 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 71.42 111.13 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.57 -26.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.162 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.33 111.106 179.883 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.803 0.335 . . . . 74.21 111.188 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.04 -43.66 63.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -58.62 -35.72 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.922 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.2 -34.81 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 74.03 111.156 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.6 mm -73.32 -40.47 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.12 111.162 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.84 -42.3 67.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.903 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.44 -36.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.142 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.14 -54.44 12.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -60.76 -37.9 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.15 -54.54 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.101 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.63 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.072 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -57.03 -62.18 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 73.12 110.908 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -43.89 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.904 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.59 -53.17 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -79.6 -10.71 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 70.35 111.12 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -75.79 -43.95 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.868 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.889 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.731 0.3 . . . . 74.23 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -51.96 -32.17 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -63.57 -55.05 27.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 75.41 112.496 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.4 -28.61 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 75.12 110.929 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -78.11 -28.6 48.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 70.43 110.897 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -80.82 -35.79 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 15.4 pt -91.42 15.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 72.25 111.124 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.901 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.898 0.38 . . . . 72.1 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.42 110.901 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -61.21 -58.09 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.23 -51.88 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -62.04 -31.61 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.871 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -65.98 -59.19 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.03 110.88 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.01 -48.67 75.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.926 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.09 -41.51 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -66.08 -58.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.143 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.53 -43.95 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 63.43 111.143 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 98.8 m -61.7 -52.74 63.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.149 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -50.79 -45.45 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.905 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 43.1 mm -62.91 -45.17 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.51 111.119 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 86.0 t -55.63 -40.71 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.161 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 65.14 110.872 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.762 0.315 . . . . 74.42 110.944 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.937 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -62.73 -60.18 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.935 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -57.88 -48.06 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 74.33 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.7 t -52.1 -61.05 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 72.44 110.885 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -57.79 -32.82 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 62.22 110.928 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.85 -50.29 74.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.2 -35.15 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.51 -59.44 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -56.95 -44.72 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.4 t -63.19 -51.31 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.895 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.79 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 64.35 111.041 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.81 -37.32 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 75.32 111.129 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 73.51 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.64 -43.52 69.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 65.4 110.906 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.11 -51.63 65.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.956 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -58.73 7.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.906 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.77 -43.24 48.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.074 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.65 -40.82 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 74.12 111.149 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.56 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.53 111.059 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.19 -34.36 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.55 111.117 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.16 -25.84 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.15 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.62 -26.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.53 111.141 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.52 111.099 179.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.807 0.337 . . . . 65.15 111.14 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.98 -41.44 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.881 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -59.31 -56.69 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 73.04 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 60.0 t -54.55 -40.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.01 111.192 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.25 -58.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 75.22 111.178 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.97 -37.51 53.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.03 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 91.6 t -72.48 -49.33 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.31 111.098 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.67 -49.24 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.76 -41.87 71.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.876 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.91 -52.27 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.122 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -68.18 -50.96 50.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.134 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -52.09 -51.34 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.97 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -66.95 -38.96 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 71.15 110.838 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.17 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -26.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.43 111.168 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -73.73 -27.56 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.838 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 41.0 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.745 0.307 . . . . 75.33 110.845 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -58.74 -40.33 83.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.94 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.15 -53.88 30.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 60.11 112.508 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.7 -46.06 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 72.33 110.92 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.51 -36.11 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -65.04 -35.76 82.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.36 15.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.43 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.953 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.868 0.366 . . . . 74.34 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -53.38 -40.36 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.85 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -62.53 -58.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.828 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 56.6 mt -49.89 -50.19 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.895 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.95 -56.62 15.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.21 110.87 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.49 -49.2 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.941 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.2 -31.55 70.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.91 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.16 -57.49 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.914 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 22.3 pt -58.02 -34.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.134 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.94 -63.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.112 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 10.9 t -55.36 -29.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.074 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -69.61 -59.44 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 73.32 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.86 -33.66 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.107 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 83.9 t -73.8 -37.99 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.145 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.919 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.752 0.31 . . . . 70.33 110.939 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -59.23 -38.61 80.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -60.33 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.922 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.944 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 3.7 t -51.85 -61.17 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.42 110.892 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.16 -33.95 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 75.42 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.16 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.898 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.02 -35.52 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.915 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -59.47 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 64.22 110.893 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.18 -44.34 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 28.4 t -63.5 -51.42 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.34 110.843 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.45 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.129 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.0 -37.36 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.111 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.64 -36.31 82.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 62.54 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.76 -43.38 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.899 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.22 -51.51 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 74.32 110.944 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.86 -43.28 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 61.22 111.098 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.65 -40.72 97.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.53 111.169 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.45 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 62.52 111.149 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.5 mm -72.24 -34.39 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.15 111.108 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.14 -25.88 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.114 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.57 -26.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.147 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.25 111.124 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.328 . . . . 75.31 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -57.02 -37.22 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -64.43 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.46 -46.19 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 51.3 mt -65.68 -34.84 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.2 111.105 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.7 -49.88 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.922 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -34.45 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.36 -59.21 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.94 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.39 -43.17 99.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.885 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.71 18.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 51.34 111.101 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.29 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 61.41 111.053 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -53.06 -50.68 63.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.935 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -47.86 -57.71 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -52.91 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.04 111.079 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 23.2 mt -51.68 -25.33 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 74.34 111.102 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.33 -55.75 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.833 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.846 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.741 0.305 . . . . 74.13 110.84 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -52.04 -56.09 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 71.34 110.918 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.64 61.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 75.12 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.11 -44.21 74.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 74.24 110.898 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -83.44 -31.31 26.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -60.19 -38.61 83.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.64 -30.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.51 111.1 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.941 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.913 0.387 . . . . 75.22 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -53.16 -40.29 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 71.53 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.57 -57.95 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.863 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.06 -49.49 51.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.922 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.1 -31.59 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.851 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -63.62 -56.83 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.874 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.81 -45.44 93.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 75.03 110.902 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.08 -31.22 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.876 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 4.8 tt -70.75 -54.48 11.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.902 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.9 tp -59.97 -36.67 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.138 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.73 -63.02 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 73.3 111.123 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 7.4 t -55.59 -28.47 55.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 75.41 111.164 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -71.29 -57.71 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.49 -37.54 75.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 72.42 111.09 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.8 -46.33 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.177 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.858 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.84 0.352 . . . . 74.43 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.11 -33.49 65.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.929 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -60.31 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.94 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -58.84 -46.79 86.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 73.42 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.7 t -52.49 -60.99 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 35.01 110.843 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.25 -33.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 63.14 110.938 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.03 -50.21 74.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.01 -35.6 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -59.85 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.885 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.81 -44.41 81.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.882 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 34.9 t -63.4 -51.72 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.842 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.12 -52.53 42.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 70.31 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.09 -37.18 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -66.82 -35.77 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.91 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.22 -43.3 67.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 70.53 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.48 -50.8 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.932 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -58.15 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.865 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.17 53.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.13 111.091 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 49.6 m -63.07 -41.52 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 75.15 111.167 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.48 93.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 62.44 111.095 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.69 -35.6 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.45 111.161 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.55 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.21 111.115 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 72.8 t -86.51 -28.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.119 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.085 179.904 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.772 0.32 . . . . 75.03 111.143 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -51.65 -37.19 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.861 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -63.11 -60.2 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.835 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 99.0 t -52.69 -45.52 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.154 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.48 -39.83 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.134 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.2 -52.37 65.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.85 -35.46 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.44 111.135 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.71 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.11 -44.75 94.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.43 -51.99 65.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.088 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.84 98.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 54.25 111.098 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.78 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.919 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -43.12 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 74.45 110.865 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.93 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 64.31 111.117 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.7 tt -71.63 -11.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.184 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -78.94 -33.97 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.86 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.726 0.298 . . . . 73.43 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -53.36 -38.92 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.952 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.67 -45.88 72.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 54.11 112.514 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -42.69 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 74.24 110.943 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.22 -28.92 57.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.816 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -67.72 -44.78 76.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.882 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 51.4 pt -71.24 -26.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.44 111.155 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.894 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.9 0.381 . . . . 74.44 110.944 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -53.69 -40.59 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 70.22 110.876 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.73 -57.85 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.856 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.73 -49.01 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.924 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -66.57 -29.59 69.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 75.35 110.882 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -68.15 -59.01 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.819 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 17.5 tp -60.29 -43.74 96.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.902 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.47 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.913 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.45 -54.26 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.932 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.82 -56.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.142 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 87.4 t -51.63 -62.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.164 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 69.3 p -51.8 -40.43 60.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.13 111.162 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -58.58 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.0 mm -53.46 -42.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 75.1 111.106 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.77 -46.73 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 65.42 111.153 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.9 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.804 0.335 . . . . 65.34 110.934 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -61.72 -37.34 83.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.908 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -60.14 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 73.02 110.942 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -58.67 -47.47 84.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -51.65 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.51 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -58.35 -33.73 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 70.33 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.28 -50.38 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.82 -35.11 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.52 -59.83 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.886 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.53 -44.8 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.896 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.5 t -63.15 -51.2 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.867 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.22 37.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.088 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.09 -37.91 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.139 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.84 -37.26 85.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.919 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.21 -44.83 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.963 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.73 -53.57 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.878 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -48.3 -42.77 31.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 53.31 111.072 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 53.6 m -60.01 -44.75 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.05 111.157 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.1 -28.35 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.096 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.25 -38.21 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 75.41 111.19 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -81.89 -26.41 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 54.22 111.108 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.41 -26.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 73.11 111.157 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 63.34 111.08 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.773 0.32 . . . . 71.2 111.116 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -51.58 -33.46 32.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 64.1 110.85 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -58.13 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.32 110.858 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.66 -41.74 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 70.2 111.103 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.17 -45.51 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 71.14 111.12 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.28 -37.22 74.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.11 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.07 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.53 -40.67 60.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.8 -55.46 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.909 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.52 -51.86 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.122 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.2 34.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 65.2 111.08 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.97 -58.1 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.933 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -54.92 -39.25 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.862 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.31 -60.58 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 65.44 111.073 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -26.26 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.067 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.77 -30.92 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.835 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.856 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.782 0.325 . . . . 73.15 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -51.91 -45.99 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.34 110.924 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.53 -46.18 63.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 72.51 112.504 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 32.7 tp -52.39 -47.6 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 74.52 110.926 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.55 -37.18 57.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 65.23 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -49.81 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.21 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.27 -18.18 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 63.51 111.097 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.946 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.916 0.389 . . . . 74.04 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 74.54 110.905 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.07 -57.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 60.4 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -48.52 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.891 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.63 -28.39 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.889 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -53.28 24.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 72.4 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -44.04 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.923 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -42.27 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.53 110.899 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.49 -52.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.84 -57.94 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.104 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.57 -60.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.101 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 95.5 m -51.51 -47.36 63.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 73.2 111.147 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -51.91 -52.89 46.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.894 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.74 -46.65 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.83 -40.51 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 71.32 111.131 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 70.42 110.871 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.769 0.319 . . . . 73.35 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.12 -34.55 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.902 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -55.77 -48.74 74.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.9 t -51.59 -61.13 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 72.34 110.847 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.02 -28.27 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.53 110.952 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -37.88 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.906 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.78 -39.44 64.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -38.74 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.854 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.76 -44.48 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 55.22 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 17.0 t -68.99 -45.84 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 64.13 110.881 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 75.04 111.099 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.52 -38.21 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 73.2 111.152 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -66.42 -35.31 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.905 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.7 tp -71.61 -44.02 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.905 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.09 -51.15 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 75.52 110.936 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -60.27 -58.55 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.886 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.93 -43.01 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 75.31 111.141 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.86 -40.82 98.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 75.2 111.181 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.11 -33.51 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.45 111.079 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.29 -34.39 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.24 111.158 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.73 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.063 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.64 -26.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.119 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.24 111.135 179.842 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.817 0.341 . . . . 72.35 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -51.73 -35.28 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 64.33 110.857 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -64.92 -58.3 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.31 -39.26 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 75.55 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.2 mm -70.69 -35.43 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 74.25 111.14 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -68.02 -44.25 76.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 63.52 110.876 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.54 -39.5 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.32 111.103 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.5 tp -71.38 -42.95 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -65.29 -50.03 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.53 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.9 -50.43 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.148 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.6 -56.87 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -58.03 -38.91 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.958 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -54.35 47.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 73.33 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.3 96.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 74.42 111.102 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.3 mt -62.1 -37.17 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.44 111.078 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -80.87 -27.42 36.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.927 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.855 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.74 0.305 . . . . 63.41 110.851 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -52.54 -39.56 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.924 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.22 -50.02 29.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 71.51 112.479 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -37.65 68.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 75.44 110.897 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -82.92 -29.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.14 110.869 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -63.6 -47.93 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.21 110.887 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.9 -25.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.161 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.33 110.884 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.877 0.37 . . . . 54.21 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -51.48 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.937 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -56.72 -30.74 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 74.31 111.109 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.23 -51.81 19.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.96 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 47.9 mm -60.36 -39.61 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.12 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -69.04 -52.46 28.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.933 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.36 -41.57 69.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.862 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.38 -55.94 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 70.42 110.83 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -48.55 64.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.896 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -60.69 -54.89 39.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.91 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 5.5 t -52.78 -50.29 63.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.884 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.81 -31.95 73.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 75.03 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 33.7 t -63.9 -63.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.864 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.55 -41.08 89.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.93 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -62.66 -48.71 78.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.858 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.6 t -58.74 -50.18 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.862 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -57.24 -60.84 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 75.32 110.925 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.81 -38.26 64.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 72.51 110.826 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -64.21 -57.99 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.24 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 19.7 mt -50.85 -47.66 60.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -69.2 -28.8 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.35 110.849 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -69.02 -56.91 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.913 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.0 -46.26 88.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.902 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.47 -50.85 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 74.23 110.928 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.3 mt -55.32 -58.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.093 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 98.1 t -52.13 -58.61 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 71.43 111.137 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 46.5 p -51.71 -49.2 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 74.43 111.144 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -52.17 -53.1 47.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.35 -36.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.03 111.128 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.38 -45.17 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.133 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -74.24 -28.92 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.885 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.31 -26.02 46.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.917 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -91.3 -33.08 15.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.901 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.28 -27.97 25.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 60.22 112.478 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -52.37 -53.86 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 75.32 110.914 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -89.78 -35.32 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -60.22 -19.57 52.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 74.11 112.479 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -52.05 -50.82 60.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 73.55 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.04 -54.73 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.64 -52.94 43.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 74.33 111.102 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.88 -51.56 55.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -55.75 -41.91 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.897 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -59.88 -52.79 63.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 71.3 110.947 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -56.18 -46.08 79.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.871 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -63.41 -53.42 52.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 72.51 110.891 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -55.56 -56.5 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 64.23 110.875 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 2.5 mp -57.39 -41.84 81.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.947 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.21 -59.47 4.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.959 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -63.88 -33.74 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.32 -58.54 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.932 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -59.94 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.909 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.9 t -51.96 -61.3 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.858 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.41 -32.21 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.916 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -62.89 -48.78 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.26 -34.87 75.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -69.14 -57.77 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.927 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.88 -45.09 86.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.871 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 14.9 t -63.16 -51.09 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 74.15 110.915 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.43 47.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 74.13 111.099 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.06 -37.22 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.13 111.122 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.87 -35.89 81.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.86 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.13 -43.18 68.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.922 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.55 -50.83 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -60.63 -58.23 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 75.04 110.864 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.33 -43.25 53.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 60.4 111.127 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 48.9 m -63.04 -41.18 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.35 111.152 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.076 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.59 -35.6 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 73.24 111.138 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.1 -28.11 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.23 111.092 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 69.9 t -86.51 -25.78 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 74.15 111.127 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.47 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 70.45 111.102 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -75.95 -5.98 48.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 64.11 110.881 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -144.43 117.07 1.0 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 73.55 112.535 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 6.6 m -74.22 -17.48 60.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 75.41 111.151 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.1 -45.58 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.893 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -55.33 -54.4 44.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.54 110.914 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.45 -41.46 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.13 111.119 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.33 -51.14 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.148 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.893 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.9 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 73.11 111.13 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.74 -44.66 63.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.872 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.49 -54.7 28.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.33 110.885 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.27 -55.26 29.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.124 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -53.77 -60.07 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 72.22 111.082 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -54.36 -32.72 57.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.903 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -52.39 60.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.86 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.01 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.01 111.099 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 40.4 mm -73.26 -36.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -69.47 -48.06 61.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.91 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -74.98 -31.18 61.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 71.4 110.865 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 54.0 mt -144.97 80.94 10.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.726 . . . . 64.14 111.119 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 111.31 2.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 71.11 112.348 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -151.65 86.43 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.85 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -149.54 50.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 64.43 110.91 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 9.0 tp -82.95 -31.74 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 72.43 111.175 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -58.48 -26.35 63.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.862 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -52.06 -43.73 63.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.936 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.1 -49.14 49.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.04 112.531 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 37.8 tp -51.97 -46.88 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 74.1 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -74.05 -33.75 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -63.3 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.87 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -92.98 15.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.173 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp -109.09 -53.31 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 73.33 110.911 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.875 0.369 . . . . 72.52 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.08 -46.53 65.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.875 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.97 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 64.42 111.071 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.26 -54.64 10.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.912 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 19.9 pt -59.91 -35.34 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.4 111.147 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.38 -46.89 59.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.915 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -60.38 -38.12 82.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 71.24 110.913 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.88 -55.44 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.876 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -47.85 64.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 74.03 110.922 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -65.3 -50.42 65.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 24.6 t -52.26 -49.97 63.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.855 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.08 -40.31 94.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.936 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.67 -62.09 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 61.33 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 61.7 mt -55.72 -51.7 66.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.895 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -54.87 -50.59 68.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 72.04 110.908 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 36.6 m -57.33 -39.44 75.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.82 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.76 -59.69 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.93 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.97 -39.71 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 73.21 110.857 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -64.55 -58.06 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.84 -47.39 60.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.919 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -69.67 -28.76 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.31 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.76 -57.28 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.915 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.85 -41.01 96.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.872 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 31.0 tp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.946 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.09 -51.77 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.936 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.2 mt -54.23 -57.49 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 75.05 111.151 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.69 -56.96 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 62.42 111.147 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 43.2 p -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.077 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -62.53 -51.93 65.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 70.32 110.853 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.15 -40.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.35 111.144 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.17 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.154 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -72.92 -47.45 45.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 64.32 110.912 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.1 tp -62.95 -44.88 94.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 70.45 110.913 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.12 -25.51 55.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.91 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.52 -30.04 33.19 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 71.24 112.438 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -60.45 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 73.31 110.879 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -95.32 11.43 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.87 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -68.53 -19.79 73.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 62.24 112.528 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -52.33 -49.28 64.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.71 0.29 . . . . 73.25 110.887 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.23 -57.85 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 74.02 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.61 -52.11 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 74.25 111.084 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 47.9 mt -51.5 -56.71 11.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -43.23 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.878 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -57.42 -56.74 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 73.33 110.907 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -52.11 -44.82 64.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 74.01 110.888 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -63.83 -55.29 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.933 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.52 -56.36 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.877 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -49.45 63.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 71.44 110.929 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -51.85 -57.44 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 73.55 110.939 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -58.18 -33.13 68.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.899 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -60.07 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.35 110.896 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -58.13 -46.85 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.942 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -52.11 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.899 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -58.35 -33.86 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.22 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.17 74.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.884 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.86 -35.87 79.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.885 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -66.84 -59.94 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.897 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.55 -44.5 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 72.54 110.844 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.2 t -63.49 -51.18 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 64.23 110.86 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.32 -52.79 42.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 75.31 111.139 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.84 -37.32 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.15 111.092 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.74 -35.85 81.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.2 tt -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 75.3 110.898 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.43 -50.88 68.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.3 110.937 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.57 -58.24 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.922 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.28 -43.12 53.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 60.34 111.07 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 48.8 m -63.05 -41.57 99.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 65.33 111.116 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.53 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.072 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.7 -35.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.35 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.31 45.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 61.01 111.082 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 72.5 t -86.48 -31.38 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 71.23 111.118 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -64.41 -22.75 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 60.41 111.109 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -93.41 17.2 11.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.914 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.85 130.09 3.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 75.21 112.515 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.75 -54.89 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 74.01 111.177 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -53.62 -32.82 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.24 110.909 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -67.23 -55.81 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.83 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 98.3 t -56.85 -41.04 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.112 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 17.9 mt -67.6 -47.98 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.128 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.12 -35.9 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.43 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.141 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.7 tp -51.66 -37.12 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.922 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.77 -55.97 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.91 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.07 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.1 111.125 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -70.53 -53.85 14.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.51 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -52.16 -50.38 61.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.909 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -65.3 -46.05 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.852 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.9 -53.19 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 73.34 111.092 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 15.6 tt -70.94 -30.55 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.23 111.129 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.24 -26.33 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.862 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -94.59 -32.0 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.834 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 54.1 mt -143.64 77.54 15.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 74.43 111.12 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 94.44 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 62.33 112.325 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -177.85 103.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.34 110.821 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -175.17 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.855 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 30.6 pt -77.86 -25.29 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 72.24 111.129 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -55.75 -63.01 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 74.1 110.847 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -36.36 51.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.52 -53.96 28.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 74.54 112.495 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.84 -39.08 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 70.53 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -74.29 -31.13 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.836 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -69.4 -39.98 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.851 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 25.7 pt -92.29 15.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.4 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.1 tp -106.07 -39.55 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.55 110.949 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.903 179.849 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.899 0.381 . . . . 71.2 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 62.6 mt -52.16 -43.61 64.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 74.32 110.909 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -56.77 -56.03 26.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 74.44 111.099 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.8 -53.74 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.903 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 46.3 mm -55.36 -48.08 77.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 74.51 111.116 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -59.03 -43.53 91.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.909 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -59.66 -48.79 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.871 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.78 -35.93 82.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.864 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -59.86 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.891 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 -61.49 -33.66 74.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.883 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 2.2 t -63.12 -56.4 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.02 110.879 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.36 -46.86 88.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.924 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.3 t -59.91 -41.24 91.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 72.54 110.876 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.51 -47.96 74.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.911 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.1 -52.59 65.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.868 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 20.8 m -61.16 -55.79 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.879 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -53.52 -43.25 68.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 74.53 110.945 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.68 -47.85 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 74.52 110.829 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.96 -57.99 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.34 110.849 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.2 mp -49.45 -52.34 29.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.922 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -61.63 -33.46 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -58.14 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.897 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.1 -41.93 89.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.91 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -35.53 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.874 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.29 -59.6 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.914 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 4.7 tp -52.12 -43.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.05 111.137 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.93 -63.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.112 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.3 m -51.52 -34.34 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 75.13 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -58.02 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.888 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.3 mm -57.92 -30.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.119 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 95.3 t -68.3 -55.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.134 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -62.67 -31.0 71.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.78 -31.64 46.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 75.11 110.905 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 24.7 tp -83.03 -23.98 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.908 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -84.58 -39.56 8.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.467 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -26.1 64.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 74.34 110.865 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -52.16 -37.16 53.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -58.38 -41.03 94.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 62.02 112.475 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -72.57 -58.17 3.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.718 0.294 . . . . 75.45 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -52.8 -56.62 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 74.4 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.85 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.053 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.76 -57.23 8.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 70.45 110.91 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -43.4 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.919 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.48 -57.7 11.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 61.43 110.903 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -50.86 -47.67 60.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -61.84 -57.57 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.04 110.912 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -51.86 -56.03 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.845 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 6.9 mt -52.31 -45.62 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 73.55 110.925 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.41 -59.4 4.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.874 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.55 -35.48 76.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 55.04 110.921 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -62.54 -60.25 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.888 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -56.03 -49.38 73.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -61.09 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.85 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.934 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -50.14 73.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.33 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.985 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -68.05 -58.88 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.94 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.22 -44.73 83.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 48.2 t -63.34 -51.2 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.31 110.851 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.62 44.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 70.4 111.086 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.0 -37.25 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 74.54 111.162 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.78 -35.76 80.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.25 -43.27 67.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 74.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.45 -50.88 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.964 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.75 -58.18 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.45 110.877 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.04 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 47.0 m -63.07 -42.02 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.16 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.05 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.34 111.092 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -67.86 -36.39 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 72.42 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.05 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 74.13 111.061 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.4 -26.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 74.32 111.15 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -85.49 -21.9 28.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 72.53 111.122 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.34 -6.11 54.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.899 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -134.01 135.39 7.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 62.45 112.544 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.1 m -83.84 -17.47 40.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 61.11 111.14 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -52.09 -46.52 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.923 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -59.7 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.846 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.3 -61.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.185 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.75 -31.82 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.33 111.141 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -62.79 -45.15 94.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.24 -39.24 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.54 111.122 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.47 -46.46 86.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.877 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -73.07 -33.61 65.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.61 -49.43 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 55.22 111.113 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.78 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.21 111.049 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.2 -52.05 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.95 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -64.42 -42.66 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.872 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.11 -58.11 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 52.42 111.116 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.5 tp -66.99 -30.64 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 72.23 111.135 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -68.46 -29.38 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -90.01 -31.96 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.849 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 6.1 pt -140.27 73.11 31.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.597 0.713 . . . . 73.31 111.148 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 107.79 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.748 2.299 . . . . 71.55 112.344 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -173.9 32.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.863 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -174.06 84.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 44.3 mm -82.93 -30.41 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.176 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -55.76 -26.09 44.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -51.96 -49.52 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.886 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.38 -42.86 81.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 74.45 112.506 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 57.6 mt -52.84 -48.76 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 75.42 110.933 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.42 -29.51 47.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.883 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -60.95 -38.96 87.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.31 110.86 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.2 15.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.128 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp -109.02 -56.5 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.904 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 71.25 110.861 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.9 0.381 . . . . 54.45 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.38 -46.07 66.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.909 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.82 -33.28 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.43 111.136 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 12.2 tp -69.57 -54.8 12.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.9 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 18.4 pt -59.97 -36.33 66.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.42 111.107 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -67.91 -51.32 49.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.913 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -56.22 -45.06 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.866 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -62.93 -51.95 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.75 -46.63 64.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -68.66 -34.39 75.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.82 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 5.3 p -63.09 -43.89 97.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.86 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.87 -46.58 52.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 71.24 110.918 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 17.1 t -60.34 -45.89 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.89 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.06 -51.71 43.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.927 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -56.71 -48.27 78.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 8.4 t -61.25 -58.35 8.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 73.35 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -53.69 -59.15 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 75.52 110.905 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -52.16 -38.62 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.03 110.88 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -65.65 -56.54 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 52.0 mt -49.98 -49.56 50.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.4 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -67.37 -32.31 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -63.68 -58.82 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 25.8 tp -61.45 -44.96 96.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.52 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.14 -32.24 72.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.933 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.64 -58.6 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.34 110.899 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.2 tp -54.34 -40.61 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 65.53 111.102 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.93 -58.1 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.135 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 39.9 p -55.29 -33.89 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.135 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -58.0 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.847 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.3 mt -54.34 -37.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.097 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.72 -55.36 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 64.5 111.117 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -57.87 -38.94 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 75.4 110.856 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.9 tp -71.13 -35.41 71.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 75.43 110.915 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 24.1 tp -76.75 -24.5 52.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.884 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -55.61 -24.89 41.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.774 -0.727 . . . . 70.2 112.454 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -74.8 -49.05 22.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 75.0 110.921 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -60.45 -49.28 78.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -59.98 -19.76 51.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 75.13 112.49 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -56.74 -58.36 8.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 72.15 110.907 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.08 -57.6 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.902 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.36 -53.44 36.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 72.12 111.104 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.84 -53.15 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.932 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -53.65 -42.04 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.92 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.11 -54.1 49.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.894 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -53.83 -45.96 71.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.891 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -64.77 -57.18 9.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -51.46 -52.33 47.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 70.31 110.879 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mp -57.83 -46.49 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.908 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -52.48 -59.58 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.944 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.85 -37.13 83.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 64.45 110.966 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.61 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -56.63 -47.47 79.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.958 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.7 t -50.9 -61.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.882 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.91 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.99 -45.97 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.89 -35.97 69.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.904 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -71.61 -52.69 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.935 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.69 -45.47 94.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.858 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 20.6 t -64.15 -50.38 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.833 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.92 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 74.1 111.087 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 64.3 t -63.6 -37.41 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 75.12 111.159 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -66.81 -35.63 80.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.911 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.33 -43.38 67.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.45 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.53 110.932 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.78 -58.18 9.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 65.5 110.903 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.2 53.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.44 111.085 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 49.5 m -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 65.01 111.15 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.19 93.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 70.24 111.074 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.94 -35.48 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.27 -27.66 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 70.03 111.098 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 73.3 t -86.53 -27.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 73.25 111.153 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -83.04 -11.53 57.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.22 111.037 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -82.17 -5.06 58.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.823 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.13 -55.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 73.23 112.508 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.4 m -61.88 -17.47 56.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 74.4 111.189 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.89 -36.05 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.901 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -64.38 -60.17 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.5 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.41 -46.19 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.153 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.88 -34.02 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.132 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.33 -49.72 70.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.09 -34.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.3 tp -62.64 -58.67 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.915 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -63.04 -41.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.877 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.9 -55.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.105 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.72 -54.67 38.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.14 111.092 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.91 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -56.69 -53.04 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.895 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 72.44 111.102 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.9 mt -59.33 -37.15 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.54 111.123 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -83.11 -26.18 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -32.16 63.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.846 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.9 tt -144.97 86.04 7.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 73.51 111.122 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -34.46 14.57 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.744 2.296 . . . . 74.02 112.323 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -161.23 -62.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 72.35 110.825 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -156.04 54.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.832 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 12.5 tt -82.96 -25.24 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.146 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 24.9 ttp85 -52.08 -45.9 64.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.835 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -52.23 -52.0 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.911 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.72 -43.99 82.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 71.11 112.495 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.69 -49.06 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 73.12 110.908 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -78.19 -34.63 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.864 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -52.39 -49.82 63.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.845 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 39.2 pt -76.9 -20.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.34 111.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.92 18.65 10.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 64.42 110.877 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 70.53 110.906 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.948 0.404 . . . . 74.42 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 6.1 mp -52.05 -46.09 64.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.907 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.55 73.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 72.55 111.083 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.64 -54.74 10.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.9 -35.41 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.173 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -70.83 -46.66 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 74.11 110.888 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -60.57 -39.28 87.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.14 110.853 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.64 -54.78 12.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.865 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -50.23 64.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 70.44 110.932 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -63.46 -45.8 89.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.841 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 11.4 t -58.44 -44.29 89.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.899 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.5 -61.45 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 74.25 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.48 -55.14 24.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.73 -45.47 70.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.864 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.22 -44.2 92.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 75.24 110.842 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 14.5 t -62.28 -58.55 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.852 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -55.62 -55.81 27.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.927 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -43.62 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 74.53 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -60.79 -57.92 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.83 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.12 -52.01 38.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -61.43 -32.19 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.844 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -66.06 -59.11 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.32 110.923 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.21 -46.74 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.911 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.94 -51.65 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.925 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -47.81 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.91 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.59 -39.16 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.44 111.138 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.56 -62.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 75.11 111.129 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 6.3 t -54.12 -37.85 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.19 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -60.9 -56.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.829 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 32.4 mt -57.14 -40.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 71.52 111.128 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.08 -46.53 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.136 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -71.77 -33.87 68.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.862 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -28.95 65.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.909 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 19.7 tp -85.0 -29.99 24.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -75.92 -17.89 79.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 52.44 112.493 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -85.9 -28.84 24.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 71.22 110.842 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -90.87 11.54 22.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.58 -28.4 29.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 70.14 112.5 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -52.0 -41.43 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.751 0.31 . . . . 72.31 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -52.54 -53.42 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.827 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.69 -52.73 46.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 74.33 111.079 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.49 -52.52 54.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 73.4 110.912 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -54.26 -42.35 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.935 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.1 -53.87 52.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.923 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -54.57 -45.13 73.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -64.49 -54.59 29.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 73.12 110.961 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.75 -55.29 31.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.888 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.99 -43.42 86.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.919 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.2 mt -54.5 -59.42 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.931 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.15 -59.93 4.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.929 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -58.92 -47.42 85.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 75.11 110.913 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.89 -61.16 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.12 110.848 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 74.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.47 -50.75 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.867 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.7 -35.5 78.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.51 -60.02 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.25 110.854 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -56.78 -44.29 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.3 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 16.1 t -63.51 -51.58 64.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.811 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.27 -52.68 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.24 111.125 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.79 -37.32 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.1 111.156 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.67 -36.23 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.6 tp -70.62 -43.55 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.931 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.14 -51.53 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.959 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -59.65 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.903 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.9 -43.29 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.097 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.8 m -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.43 111.119 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.33 -33.41 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 72.14 111.095 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.22 -34.43 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.136 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.07 -25.89 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 71.43 111.126 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.6 -26.35 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.107 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -65.24 -24.46 67.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.13 111.075 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -75.98 -5.99 48.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 62.41 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -107.81 -151.32 16.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.467 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.0 m -83.14 -17.48 42.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 72.43 111.145 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.95 -35.96 59.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 74.12 110.895 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -64.55 -60.05 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.878 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.66 -39.96 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.143 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 54.8 mt -69.06 -55.92 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.165 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -51.9 -39.68 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 75.35 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.91 -50.21 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 70.32 111.154 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.85 -53.94 34.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.893 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.09 -40.57 94.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.889 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.47 -52.66 64.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.08 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.21 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.31 111.078 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -61.23 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 63.44 110.907 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -49.59 -48.59 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 63.02 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.19 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.2 111.13 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.96 -14.84 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.25 111.086 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -74.1 -50.43 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.01 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.79 5.02 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 10.5 tt -49.39 131.62 18.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 72.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -171.0 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 70.44 112.385 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -133.24 43.68 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 75.32 110.897 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -177.91 -45.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.884 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.95 -25.27 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 72.51 111.139 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -52.14 -38.84 58.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.859 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.95 -49.38 63.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 65.23 110.924 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.13 -46.23 88.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 72.23 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.79 -42.37 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 74.53 110.9 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -80.37 -28.55 37.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.904 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -66.77 -34.24 77.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 71.52 110.868 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.2 pt -92.28 15.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.131 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.3 tp -108.66 -35.54 6.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.872 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 65.44 110.903 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.932 0.396 . . . . 72.11 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.95 -32.54 33.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 73.34 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -65.83 -53.08 44.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.41 111.147 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 14.7 mt -58.92 -44.68 91.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.946 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.27 -46.9 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 73.35 111.123 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -57.95 -53.22 60.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.947 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -55.34 -49.05 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.884 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.95 -49.57 77.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 63.4 110.94 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.85 -59.89 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.874 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -55.49 -50.89 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.22 110.906 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 30.2 t -52.39 -47.16 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 63.23 110.806 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 12.7 tp -62.88 -40.2 96.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.945 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.28 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 63.15 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 4.1 tp -55.89 -51.27 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.908 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -54.24 -52.65 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.33 110.887 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 15.0 t -59.48 -33.38 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.845 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.0 -60.1 3.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.871 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -58.55 -42.46 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -63.6 -57.77 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 26.5 tp -50.89 -49.88 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.2 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.55 -28.08 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.7 -54.68 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.845 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.44 -44.08 92.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 72.41 110.928 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -44.95 96.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 71.53 110.924 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.95 -52.58 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.936 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 22.3 mt -53.93 -55.94 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.15 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.74 -57.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.129 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 19.5 p -53.96 -40.36 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.134 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -59.32 -50.43 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.876 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.1 -37.78 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.35 111.08 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 89.7 t -65.61 -37.7 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.152 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -74.27 -46.34 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.54 110.88 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.61 -43.13 99.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 71.42 110.934 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 29.6 tp -77.3 -26.25 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 72.41 110.886 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.98 -27.87 31.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 65.23 112.475 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -76.73 -35.42 57.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 75.22 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -85.27 1.14 49.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.894 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -54.59 -25.65 36.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 60.12 112.461 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -52.1 -43.96 64.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.742 0.306 . . . . 64.23 110.9 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.18 -57.78 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 74.03 110.876 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.69 -53.27 40.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 73.11 111.099 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 76.3 mt -51.65 -54.89 23.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.939 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -43.05 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.86 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -59.25 -51.43 69.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -56.06 -44.14 78.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -66.21 -56.63 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -51.66 -52.83 44.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 73.12 110.951 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.24 -43.26 92.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.926 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.46 -59.22 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.936 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.83 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.37 -59.32 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.94 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -59.42 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 74.22 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.2 t -51.89 -61.36 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 71.45 110.865 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -61.29 -32.46 72.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -62.79 -48.76 77.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.887 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -69.1 -58.23 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.863 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -56.7 -45.04 82.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.9 t -64.06 -49.52 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 65.22 110.887 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.62 -53.48 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 72.23 111.124 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.97 -38.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.155 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.4 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.927 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.67 -47.1 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.909 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -68.73 -60.65 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.4 110.898 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.8 61.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.088 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 97.7 m -64.45 -41.37 96.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 73.23 111.116 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 73.34 111.135 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 44.8 mm -72.36 -34.91 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 75.43 111.143 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -83.75 -25.63 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.51 111.103 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.3 p -86.72 -26.59 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.118 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -77.88 -25.13 48.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 64.1 111.106 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -95.43 17.19 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 72.14 110.866 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -52.42 -80.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 75.24 112.533 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.7 t -62.18 -17.5 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.778 0.323 . . . . 74.12 111.113 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.09 -34.77 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 70.21 110.869 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -65.55 -56.97 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.896 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.0 -44.9 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.166 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.28 -47.95 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.25 111.148 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -57.91 -36.42 72.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.939 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.55 -60.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.04 111.092 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -37.81 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.923 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . 0.402 ' NE2' ' HE ' ' A' ' 838' ' ' ARG . 3.6 tp60 -73.23 -55.61 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.55 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.13 111.137 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -69.42 -52.79 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 44.13 111.072 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -52.11 -52.54 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 72.31 110.939 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.402 ' HE ' ' NE2' ' A' ' 834' ' ' GLN . 47.4 mtt-85 -64.01 -44.71 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 74.53 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -52.85 -57.68 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.7 tp -66.97 -30.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 -69.09 -27.89 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.863 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -91.07 -32.0 16.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 73.45 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.3 pt -140.77 74.33 27.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 72.14 111.138 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 91.65 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.274 . . . . 74.24 112.332 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -152.37 26.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 71.43 110.845 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.17 87.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.877 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 33.3 mt -83.01 -24.48 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 73.45 111.16 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -52.06 -30.05 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 63.34 110.866 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -51.98 -43.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.69 -53.54 30.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.16 -40.55 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.326 . . . . 73.35 110.879 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.13 -33.07 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 65.14 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -62.03 -44.99 95.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 72.54 110.88 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.6 -35.8 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 74.41 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -62.3 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 65.55 110.93 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.874 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.918 0.39 . . . . 73.34 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.9 -50.89 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.949 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.54 65.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 61.42 111.127 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.25 -51.56 23.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.946 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 51.2 mm -59.3 -39.7 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 74.13 111.144 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -68.55 -53.36 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.926 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.48 -42.41 67.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 54.22 110.873 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.3 -55.19 17.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.813 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -53.13 48.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.905 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -57.44 -53.94 52.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.3 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 5.4 t -53.88 -42.33 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.3 110.891 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.25 -56.01 26.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.84 -59.01 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.905 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 58.1 mt -55.71 -35.64 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.925 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.26 -49.66 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 64.23 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 97.0 p -58.77 -51.59 69.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 74.2 110.834 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -60.91 -56.42 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.919 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -52.21 -40.67 61.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 64.23 110.833 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.78 -57.71 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 55.15 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 11.6 tp -49.65 -50.31 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -64.3 -32.64 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.87 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.34 -58.48 7.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 75.23 110.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.1 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.895 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.71 -30.7 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 73.2 110.949 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 56.9 tp -70.53 -59.16 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.892 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 12.6 pt -55.17 -39.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.05 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 75.5 t -67.3 -63.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.53 111.159 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.8 m -49.15 -34.35 14.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 43.4 111.144 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -69.67 -52.62 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 2.3 tp -60.44 -25.93 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.113 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 46.9 t -76.88 -52.02 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 74.2 111.104 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.6 -31.59 72.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.901 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.3 tp -78.6 -50.88 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.871 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 3.1 tt -69.74 -13.31 62.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 62.43 110.928 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -53.14 -50.74 50.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 73.12 112.498 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -83.64 -22.76 32.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 74.43 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -90.01 11.11 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.5 110.838 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -77.49 -15.94 80.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 72.33 112.5 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 31.7 t-105 -61.08 -62.17 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 74.35 110.92 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.67 -47.59 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.867 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -55.08 -55.78 27.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.43 111.095 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 45.6 mt -51.53 -51.63 53.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 75.21 110.924 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -45.04 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.902 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -58.26 -52.68 64.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 70.53 110.925 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -54.24 -45.34 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 74.34 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 13.3 t-105 -65.29 -56.64 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.898 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.74 -53.63 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.56 -42.82 88.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 32.0 tp -54.56 -59.2 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.957 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -63.58 -33.68 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -62.51 -59.4 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.98 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -59.22 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.884 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.5 t -51.86 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 63.22 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.87 -35.02 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 73.42 110.904 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.6 -47.25 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 74.11 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 30.4 mt -68.98 -37.42 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.04 110.92 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.11 -58.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.909 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -57.64 -44.22 85.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.8 t -63.99 -51.14 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 71.2 110.833 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.17 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.44 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.29 -37.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.132 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.54 -35.92 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 65.52 110.9 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.1 -43.36 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.888 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 31.4 mt -63.31 -50.88 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.924 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -60.36 -58.3 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.88 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.61 53.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.039 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 47.8 m -63.22 -41.79 99.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 74.51 111.103 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.31 93.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 64.13 111.122 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.58 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.87 48.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 64.23 111.153 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 70.4 t -86.54 -26.05 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 72.43 111.08 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.65 -23.33 64.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 71.22 111.139 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -93.29 17.14 11.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 71.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -177.05 114.57 0.48 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.437 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m -71.27 -17.46 62.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.74 0.305 . . . . 74.34 111.121 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -51.66 -38.26 54.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 65.3 110.872 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -62.0 -60.17 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.88 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 99.2 t -52.58 -44.9 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.076 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.5 mm -66.92 -33.77 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 73.23 111.125 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.36 -47.36 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.92 -34.44 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 75.41 111.163 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.37 -52.71 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.935 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -69.92 -41.12 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.96 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.62 88.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.107 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.36 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 64.43 111.115 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -46.17 84.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.935 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.0 -48.16 81.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.814 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.8 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.14 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.08 -30.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.33 111.114 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -71.36 -31.0 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.871 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -83.83 -32.02 25.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 11.3 tt -145.02 131.49 9.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 64.14 111.134 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -46.79 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.713 2.275 . . . . 71.54 112.315 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 58.3 31.89 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.844 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -93.48 42.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.35 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 6.1 tp -82.94 -31.03 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.12 111.118 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.39 -53.65 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 71.41 110.858 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.08 -32.14 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.882 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.65 26.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 73.11 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 74.3 110.925 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.67 -36.79 70.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.853 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -65.81 -43.68 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.815 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 43.3 pt -72.03 -25.78 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 74.51 111.161 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -60.66 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.45 110.914 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.888 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.899 0.38 . . . . 71.34 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 4.2 pp -52.25 -36.36 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.917 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.25 -53.28 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.067 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.2 -50.43 73.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.913 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 44.9 mm -55.75 -45.92 79.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.187 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -59.44 -54.51 45.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 74.05 110.906 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -52.68 -48.08 66.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.91 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.6 -48.27 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -60.19 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.924 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.63 -33.24 71.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 65.12 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 2.2 t -64.74 -48.73 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.839 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -44.89 85.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.9 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 6.7 m -57.9 -59.37 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 65.24 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.94 -41.79 83.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.933 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.73 -54.24 48.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.31 110.862 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 80.9 p -56.47 -57.63 11.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 60.32 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -53.83 -58.26 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 75.55 110.91 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -52.23 -39.17 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.845 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.98 -58.02 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.84 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.7 -48.82 58.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -66.75 -29.72 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.881 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -68.12 -58.9 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.43 -43.91 96.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 64.32 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.907 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.48 -54.57 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.937 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.33 -56.79 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 72.43 111.156 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 89.3 t -51.75 -59.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 74.21 111.133 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 53.5 p -51.78 -48.54 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.154 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -53.81 -52.25 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.914 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.36 -39.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.157 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.54 -44.49 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.1 111.122 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.35 -50.11 23.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.914 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.23 -36.34 70.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.951 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 7.6 tp -78.87 -25.97 43.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.942 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -58.18 -47.9 86.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 44.52 112.524 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -85.36 -25.92 26.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 75.1 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -90.52 11.42 21.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 73.1 110.884 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.32 -40.54 53.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 72.01 112.461 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 31.7 t-105 -61.42 -62.14 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.714 0.293 . . . . 72.2 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.71 -54.78 37.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.901 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.23 38.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 74.33 111.074 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.71 -54.5 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.937 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -52.71 -42.13 64.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.887 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.77 -53.81 53.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.934 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -53.85 -46.73 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 75.14 110.861 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -63.95 -54.85 28.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 73.04 110.934 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -53.46 -55.23 26.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -39.96 82.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.962 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.0 -58.42 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.895 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.37 -38.81 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.929 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.18 -60.22 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.958 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -58.39 -47.59 83.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 74.45 110.932 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.6 t -51.72 -61.24 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.829 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.02 -33.82 69.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.01 110.905 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -50.42 73.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.04 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.86 -35.37 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.934 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 71.52 110.855 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.8 -44.45 81.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 71.34 110.893 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.0 t -63.37 -51.46 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.871 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.25 -52.79 41.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.75 -37.37 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 75.43 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -66.63 -36.21 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.65 -43.49 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.15 -51.55 65.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 73.51 110.959 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -58.7 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.882 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.31 48.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.098 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.8 m -62.54 -40.85 98.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.23 111.156 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.25 -33.42 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.153 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.26 -34.4 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 73.02 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.85 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.54 111.051 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.3 p -86.59 -26.36 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.147 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.03 -25.22 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 55.33 111.146 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -93.55 17.15 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -56.47 -70.47 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 71.42 112.523 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.7 m -68.29 -17.46 64.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 71.25 111.124 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -33.28 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.886 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -66.92 -60.09 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 71.9 t -53.66 -43.83 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.1 111.131 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.5 mt -64.91 -54.75 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 75.42 111.189 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -51.93 -36.67 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 88.5 t -72.55 -49.2 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 75.43 111.133 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -50.56 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.931 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -68.0 -44.0 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.865 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -56.14 -58.82 6.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 72.24 111.112 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.11 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.078 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -51.02 -64.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.94 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -43.52 61.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.894 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.48 -62.38 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.112 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.5 tp -69.62 -14.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.44 111.119 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -67.64 -52.19 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.896 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -88.41 -26.64 22.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.85 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 21.7 mt -66.03 131.51 94.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.639 0.733 . . . . 74.21 111.132 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 83.15 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.664 2.243 . . . . 74.44 112.344 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -176.24 166.48 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -149.21 26.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -26.01 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.53 111.114 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -81.22 -29.72 34.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.859 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -52.02 -50.9 60.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.881 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.88 -44.11 80.55 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 73.11 112.509 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 41.7 tp -51.68 -48.77 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 72.11 110.959 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.19 -35.15 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 60.14 110.913 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -52.09 -49.63 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.55 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 37.3 pt -77.48 -20.24 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.14 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 7.1 mt -93.86 18.85 9.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 75.24 110.971 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.925 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.889 0.376 . . . . 64.41 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.79 -55.59 21.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 71.21 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -54.87 -42.81 72.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.53 111.105 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.66 -54.34 47.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 75.35 110.896 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 50.6 mm -56.87 -48.96 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.137 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -57.95 -50.19 74.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.936 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -53.68 -54.99 30.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -57.27 -43.4 83.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.881 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -57.63 11.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.919 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -61.28 -37.06 81.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.855 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 6.6 p -62.33 -43.88 97.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.857 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.48 -53.02 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 73.34 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 42.2 t -56.86 -54.74 42.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 70.1 110.932 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 11.2 tp -56.57 -50.21 72.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.68 -43.81 85.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.909 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 68.1 m -58.54 -59.51 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 71.53 110.879 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -57.54 -55.63 32.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.967 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -52.74 -38.15 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.821 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.99 -57.94 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.11 110.847 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.76 -48.93 59.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -68.09 -28.9 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.839 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.55 -51.13 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.848 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.85 -44.12 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.16 -43.59 97.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.4 110.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.7 -53.06 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.944 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 27.0 mt -55.79 -59.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.124 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 91.1 t -51.77 -59.19 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 71.11 111.122 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 89.2 m -51.68 -47.78 63.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.131 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -52.14 -55.26 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.43 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.1 -43.09 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.169 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.49 -42.97 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.35 111.17 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -80.17 -25.34 39.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.6 mp -77.8 -22.19 50.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 75.43 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -21.07 60.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 72.55 110.871 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -55.79 -52.04 51.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 73.34 112.462 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -84.78 -23.31 29.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 75.14 110.875 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -90.48 11.46 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.824 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -74.46 -18.65 79.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 74.21 112.465 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -62.03 -62.37 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.693 0.282 . . . . 65.44 110.916 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.13 -48.53 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 75.41 110.881 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.75 87.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 72.24 111.092 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.4 -58.96 6.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -56.52 -39.28 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.882 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -58.65 -50.43 73.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 74.4 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -59.74 -46.75 88.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.928 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -62.23 -49.27 76.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.874 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.99 -48.82 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.884 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.38 -59.13 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.957 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.01 -57.42 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.935 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -54.57 -33.81 60.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.55 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -60.36 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 73.44 110.937 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -61.59 -47.34 85.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.927 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.2 t -51.86 -58.37 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.914 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -60.86 -34.58 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.956 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -49.79 76.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.932 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -36.37 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 74.15 110.937 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -66.02 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.874 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -57.41 -44.19 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.829 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 19.8 t -63.61 -51.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.02 110.83 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.45 45.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.087 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.08 -37.28 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 75.32 111.15 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -66.81 -35.9 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.867 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.07 -43.37 67.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.43 -50.78 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.873 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.47 -58.3 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.89 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -42.77 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.106 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 48.5 m -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 60.2 111.152 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.08 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 47.8 mm -67.98 -35.69 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.125 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.1 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.54 111.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 78.5 t -86.53 -27.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.01 111.098 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -86.46 4.05 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.52 111.073 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.49 17.22 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.89 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -72.84 -138.33 0.29 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 62.51 112.461 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.6 m -61.96 -17.49 57.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.337 . . . . 71.13 111.148 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.42 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.869 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -62.78 -59.46 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.858 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.31 -39.27 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.091 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.29 -59.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.124 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -51.76 -38.51 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.88 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 68.3 t -69.85 -43.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.15 111.133 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -56.88 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -59.66 -46.93 87.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.3 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.1 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.106 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.51 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 63.14 111.08 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.48 -60.19 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.918 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -50.83 -45.13 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 74.14 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 18.2 mt -64.6 -31.44 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -75.43 -38.74 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -70.66 -33.22 70.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 71.23 110.833 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 22.7 pt -145.24 141.9 17.67 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.727 . . . . 74.51 111.147 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.31 9.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 72.22 112.368 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -170.12 168.02 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 65.21 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -121.81 58.73 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.891 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 44.9 pt -78.24 -25.01 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 73.24 111.164 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -25.31 55.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.912 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -52.33 -37.58 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 64.04 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.61 -54.38 26.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 71.14 112.444 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -45.96 79.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 74.34 110.924 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -37.53 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.864 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -58.75 -47.87 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.907 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -73.73 -32.52 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.11 111.115 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -33.72 76.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.869 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.869 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 56.9 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.926 0.393 . . . . 74.55 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -45.43 65.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.885 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.43 77.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 62.21 111.161 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.91 -54.96 14.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.52 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 16.6 pt -60.05 -37.48 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.31 111.119 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -65.57 -51.15 61.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.917 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.84 -45.72 82.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 74.13 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -62.63 -43.05 99.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 70.34 110.898 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -47.64 84.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.924 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -62.03 -50.63 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.878 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -54.93 23.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.884 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.58 -38.3 84.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 75.34 110.917 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 53.0 t -58.61 -63.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.13 110.923 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.07 -50.03 75.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.905 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -52.13 -53.94 36.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 74.42 110.865 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 28.1 t -58.23 -43.38 87.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.865 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.42 -60.52 3.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 74.34 110.869 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.37 -41.59 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.12 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -62.56 -57.95 9.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.897 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.89 -50.83 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.919 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -64.28 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.848 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -58.81 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.14 -46.94 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.874 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.0 tp -61.12 -32.15 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.929 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 36.7 tp -69.48 -60.35 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.944 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 9.9 tt -53.39 -41.32 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.81 -62.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 61.4 111.117 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 66.8 p -52.87 -28.68 24.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 75.11 111.118 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -70.55 -59.2 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 41.4 mm -58.69 -31.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 96.6 t -71.92 -50.15 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.21 111.134 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.24 -32.98 74.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 63.02 110.875 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.9 tp -74.48 -44.3 52.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 2.1 tt -73.84 -22.64 59.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.35 -27.49 24.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 75.03 112.479 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -52.37 -42.55 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 72.55 110.852 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -103.87 -25.77 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.869 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -61.05 -18.57 55.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 73.04 112.493 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -49.47 64.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.696 0.284 . . . . 73.01 110.91 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -52.07 -57.78 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.884 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.22 -51.2 56.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.104 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 25.2 mt -50.29 -58.64 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.92 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -43.68 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.951 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -55.05 -61.89 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.912 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -48.33 -45.4 35.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 74.52 110.935 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -65.73 -34.45 78.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.913 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -66.98 -56.07 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.8 -51.13 70.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.982 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.71 -59.17 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.903 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -54.48 -33.97 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.948 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -59.16 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -58.27 -47.45 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 74.41 110.897 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.4 t -52.29 -61.09 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.24 110.888 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -57.98 -33.3 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.93 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -50.34 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 60.21 110.85 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -67.09 -59.74 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.884 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -56.87 -44.58 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 61.11 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.7 t -63.22 -51.55 65.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 61.54 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.76 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.34 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.76 -37.36 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 73.25 111.121 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.62 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.66 -43.46 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.926 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.26 -51.52 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.91 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -59.59 -58.71 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.913 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.88 -43.27 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 71.2 111.081 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.1 m -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 73.01 111.171 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.25 -33.48 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.115 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.28 -34.34 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.5 111.129 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.17 -25.82 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.075 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.57 -26.39 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.144 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -79.24 -25.2 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.113 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -94.57 17.2 13.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.907 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -52.81 -87.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 72.52 112.433 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.9 m -62.02 -17.54 57.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 73.42 111.166 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.6 -36.19 44.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.873 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -63.92 -58.93 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 95.9 t -54.01 -41.55 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.51 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.37 -34.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 74.25 111.144 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.42 -47.81 66.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.91 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.16 -38.67 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 75.4 111.106 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.7 -40.98 84.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 65.23 110.942 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -53.29 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.55 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 73.43 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -55.98 -59.64 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 65.21 111.057 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -56.47 -40.29 74.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 71.34 110.909 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.96 -50.86 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 74.25 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.14 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.4 111.119 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 20.8 mt -59.82 -39.57 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 63.1 111.102 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -83.32 -25.81 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -32.11 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.85 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.0 pt -143.22 77.18 15.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.588 0.709 . . . . 55.22 111.106 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -47.13 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 70.52 112.323 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -53.47 104.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 75.45 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -176.88 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 73.54 110.826 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -21.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.52 111.14 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -65.58 -62.74 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.874 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -56.8 -41.44 77.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 65.15 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.81 -49.72 57.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 63.35 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.15 -44.39 83.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 75.03 110.906 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -73.45 -29.11 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.914 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -72.21 -43.06 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.858 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 35.6 pt -73.4 -26.05 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.43 111.153 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -39.53 91.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 75.12 110.946 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.891 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.885 0.374 . . . . 71.24 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.96 -32.52 33.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.93 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.18 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.51 111.118 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.37 -44.93 89.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.78 -46.05 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.068 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -58.77 -52.71 64.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.931 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -55.3 -49.96 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.844 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.08 -50.92 72.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.03 110.881 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -59.97 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 75.23 110.904 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -54.08 -50.27 67.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.854 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 8.7 t -53.61 -43.79 68.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.854 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.72 -55.64 28.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.912 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 5.1 t -55.67 -59.4 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 9.7 mp -52.34 -38.91 59.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.93 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.73 -52.09 66.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.867 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.0 t -58.51 -54.11 50.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 75.03 110.85 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -56.66 -54.84 41.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.92 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -52.8 -40.52 63.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 74.43 110.874 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -62.29 -57.98 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.55 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.91 -50.43 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.914 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -63.86 -32.27 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -63.19 -58.82 5.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.865 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 15.3 tp -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.894 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -32.11 71.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 72.35 110.958 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.68 -61.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.952 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.9 tt -52.98 -42.9 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.122 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.87 -63.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.23 111.103 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.2 m -52.0 -44.36 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.03 111.104 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -56.17 -53.76 53.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 75.04 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 30.7 mt -61.01 -42.04 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.163 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.47 -43.69 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.163 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -80.09 -25.31 40.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.52 110.856 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.4 mp -77.93 -22.31 49.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.936 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.5 -22.81 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.91 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.09 -28.11 24.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 64.51 112.5 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -58.56 -24.6 61.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 74.31 110.898 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -52.53 -30.35 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 71.03 110.872 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -54.55 -25.25 34.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 71.33 112.503 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -62.52 -55.69 25.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.728 0.299 . . . . 75.22 110.923 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -52.15 -54.24 33.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.2 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.51 -53.06 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 55.21 111.106 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.41 -55.57 17.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 64.33 110.913 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -51.92 -42.82 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.886 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.43 -54.13 50.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.938 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -53.46 -48.06 69.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 75.11 110.907 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -62.92 -57.75 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.11 110.93 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -50.86 -49.34 59.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 72.34 110.855 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.58 -45.96 90.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 70.23 110.901 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -59.42 4.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.919 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.82 -34.34 77.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.884 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.86 -59.89 4.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.949 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -58.21 -47.75 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.928 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.85 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.84 -33.68 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.925 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -50.46 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.861 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.918 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.898 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -56.96 -44.31 82.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.0 t -63.52 -51.41 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.867 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.56 44.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 74.5 111.156 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.05 -37.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.5 111.103 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.73 -35.88 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.17 -43.19 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.923 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.51 -50.76 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 64.34 110.945 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.66 -58.25 9.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -43.15 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 71.1 111.144 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.0 m -63.13 -41.26 99.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.122 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.39 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 74.3 111.077 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.59 -35.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.119 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.06 -28.01 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.118 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 71.9 t -86.52 -25.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 73.53 111.138 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.46 -24.02 64.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 63.52 111.096 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.34 17.12 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 71.34 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -171.29 104.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.737 . . . . 64.24 112.52 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m -67.09 -17.5 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 73.43 111.165 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -51.83 -51.85 53.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.861 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -51.93 -51.5 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.885 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.38 -37.73 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.131 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 20.4 mt -67.27 -53.15 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.122 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.33 -37.04 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.851 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.61 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 72.44 111.099 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -39.88 59.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.908 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -70.49 -55.44 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.54 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.31 111.122 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.59 -55.31 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.15 111.15 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -51.79 -57.09 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.95 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -53.87 -45.89 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 73.43 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.51 -61.72 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.41 111.12 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.72 -17.78 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.146 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -74.79 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -85.73 0.61 52.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.857 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.09 130.95 15.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 72.53 111.138 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 78.85 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 74.44 112.387 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -147.09 179.47 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 65.3 110.896 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -95.84 164.84 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 33.6 pt -57.43 -28.77 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.41 111.143 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -57.36 -26.16 60.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -51.93 -57.91 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.913 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.2 91.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 74.3 112.48 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 18.2 tp -51.94 -42.69 63.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.76 0.314 . . . . 74.14 110.929 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -86.21 -33.37 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.875 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.59 70.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.843 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.35 -13.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.35 111.112 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.25 -40.48 14.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.93 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.919 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.861 0.363 . . . . 62.41 110.82 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.06 -58.8 5.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -53.48 -41.17 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 72.45 111.082 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.31 -51.76 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.877 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.23 -54.18 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.126 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -52.89 -55.2 25.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 64.51 110.907 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -52.63 -58.58 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 65.42 110.899 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -51.93 -36.12 48.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.895 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -60.55 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -51.63 -45.15 63.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.91 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 1.4 p -58.05 -58.28 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.53 110.852 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 20.5 mt -53.02 -37.0 61.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.99 -63.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 64.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.85 -47.48 77.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.12 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -58.84 -45.25 90.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.903 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 5.0 m -59.07 -47.71 84.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.896 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -59.13 -58.28 9.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 72.41 110.966 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.98 -41.79 75.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 72.25 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -62.39 -57.95 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.898 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.93 -50.23 47.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.918 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -64.11 -32.2 73.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.848 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.24 -58.88 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 62.35 110.829 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 33.0 tp -59.41 -47.59 84.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.941 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.01 -32.06 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.951 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.01 -61.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.929 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 4.8 tp -52.94 -42.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.146 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.33 -63.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.2 111.094 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -51.39 -33.19 28.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 72.53 111.184 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -66.25 -56.24 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.82 -27.77 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.31 111.168 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.35 -53.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.122 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -63.04 -35.04 78.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.926 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.2 tp -73.77 -39.4 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.53 110.943 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 23.9 tp -75.79 -25.11 56.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.914 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.33 -29.2 29.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.725 . . . . 52.4 112.453 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -52.42 -54.26 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.761 0.315 . . . . 75.01 110.859 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.26 11.45 34.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.814 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -58.5 -20.38 45.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.458 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -51.94 -49.29 63.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 73.43 110.934 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.33 -56.83 16.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.909 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.55 -53.29 39.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 55.51 111.101 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.33 -56.53 10.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -44.21 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 75.21 110.922 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -56.45 -58.55 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.934 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -52.03 -42.2 62.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 73.31 110.925 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -64.66 -50.07 68.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 75.1 110.925 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -61.02 -58.6 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 73.35 110.876 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -47.43 63.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 71.33 110.937 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.4 -58.61 7.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 73.52 110.885 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -57.43 -33.85 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 60.12 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -60.12 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.885 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -57.27 -47.4 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.2 t -51.85 -61.22 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.826 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -57.83 -33.37 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 74.24 110.927 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -50.48 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.94 -35.25 78.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 64.11 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -67.19 -59.72 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.34 110.928 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -56.74 -44.66 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.885 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.3 t -63.3 -51.25 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.84 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.78 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.113 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.75 -37.4 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.22 111.109 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -66.54 -36.28 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.65 -43.45 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 64.32 110.961 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.17 -51.54 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 61.41 110.936 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -58.7 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.28 48.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 71.44 111.097 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.59 -40.79 98.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.141 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.3 -33.42 74.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.127 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.29 -34.36 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 75.2 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.12 -25.92 29.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.067 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.58 -26.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 71.24 111.085 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.86 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.131 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -77.21 -5.83 50.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.871 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -117.6 -177.31 17.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 74.12 112.501 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m -82.28 -17.48 45.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 63.53 111.143 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.19 -39.29 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.841 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -53.15 56.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.51 110.87 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.1 -52.45 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.73 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 71.3 111.17 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 70.3 t -74.75 -38.59 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.44 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.33 -47.16 87.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 74.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -73.45 -49.36 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.86 -42.94 76.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.12 111.136 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -72.14 -55.35 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.092 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.25 -44.67 65.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 74.43 110.896 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -70.7 -43.95 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 70.31 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.41 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.88 -32.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 74.35 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -67.87 -28.13 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.1 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -102.87 -31.84 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.863 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 45.2 mm -140.31 79.23 21.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 74.41 111.119 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 79.22 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 73.32 112.321 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -152.39 126.23 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.854 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? 58.54 95.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.891 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 30.6 mm -82.3 -54.0 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 65.33 111.124 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -52.15 -35.92 49.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.916 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.19 -47.96 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.14 -51.4 23.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 63.2 112.521 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.72 -23.01 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 75.13 110.934 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -91.39 -49.13 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.868 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -59.65 -26.07 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.851 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.2 pp -90.13 -24.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -44.04 97.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.918 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 70.1 110.953 179.859 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.906 0.384 . . . . 74.34 110.795 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.8 -55.5 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 74.14 110.961 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -52.3 -46.37 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.25 111.096 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.48 -54.49 43.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.9 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 47.9 mm -53.43 -52.16 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 74.2 111.125 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -58.86 -44.41 91.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -53.49 -53.87 45.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.858 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -67.44 -38.88 85.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.27 -52.44 65.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 65.25 110.934 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -67.1 -48.6 67.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.876 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 7.0 t -54.11 -50.1 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.853 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -42.12 93.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.949 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.31 -57.03 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.9 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.86 -48.86 78.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -57.67 -45.39 85.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.863 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.9 t -58.85 -57.63 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 63.13 110.886 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -52.51 -51.65 58.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.873 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.26 -41.27 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 72.53 110.844 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -61.72 -57.55 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.91 -51.15 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.908 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -28.54 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.898 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.97 -57.53 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.886 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -43.91 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.894 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.08 -40.76 98.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.908 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.62 -54.86 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.9 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 42.4 mm -56.82 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.15 111.157 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 93.6 t -51.57 -58.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.15 111.115 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -53.12 -47.52 68.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.1 -52.73 49.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.82 -44.11 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.115 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 61.6 t -55.22 -42.06 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.35 111.097 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -80.34 -25.31 39.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.1 mp -77.62 -22.85 50.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 71.4 110.911 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -22.54 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 64.04 110.94 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.14 -27.74 23.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 61.23 112.513 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -80.43 -53.96 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 75.15 110.902 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -61.24 -25.9 67.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 64.43 110.85 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -53.74 -27.18 34.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 61.54 112.539 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -52.96 -59.39 4.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.31 . . . . 74.14 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -53.13 -53.69 46.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 73.35 110.87 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.94 30.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 72.2 111.108 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 49.2 mt -51.7 -53.16 42.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.884 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -53.48 -41.74 66.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.874 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.85 -51.25 70.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.882 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -55.53 -46.58 77.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -65.44 -55.13 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.931 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.8 -53.54 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.12 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.43 -43.31 93.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.905 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 30.9 tp -54.77 -59.27 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.876 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.05 -32.92 74.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 60.23 110.935 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -62.87 -59.15 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.909 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -59.84 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 72.34 110.926 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.3 t -52.06 -61.27 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.871 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -61.45 -31.93 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 75.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.13 -48.5 78.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 72.43 110.872 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.38 -35.1 75.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.14 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -69.32 -57.86 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.35 110.896 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -57.75 -45.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.89 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.8 t -63.13 -51.13 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.31 110.857 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.44 -52.56 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 42.31 111.096 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.95 -37.23 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.43 111.139 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -66.88 -35.87 81.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 73.31 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.11 -43.21 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.954 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.55 -50.87 67.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.22 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.63 -58.29 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.833 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.24 52.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.081 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 49.3 m -63.05 -41.26 99.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 72.51 111.153 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.45 93.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 55.34 111.07 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.65 -35.56 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 75.34 111.125 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.15 -28.05 48.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 61.11 111.105 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 71.1 t -86.59 -25.78 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.103 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.75 -25.16 63.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.128 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -77.3 -5.75 50.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 64.12 110.864 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -99.2 165.31 20.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 64.04 112.51 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.5 m -81.38 -17.53 48.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 74.41 111.125 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.95 -43.07 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.01 110.88 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -59.03 -51.43 70.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.833 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 49.5 t -57.04 -59.34 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.51 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -30.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 75.05 111.168 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -67.06 -45.7 76.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.52 110.869 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.34 -39.08 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 70.25 111.142 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.85 -55.58 14.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.94 -36.35 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.928 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -70.54 -55.11 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.43 111.111 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -50.35 -53.16 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 72.33 111.153 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . 0.406 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -62.47 -49.57 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.885 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -52.7 -28.42 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.84 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -80.41 -49.42 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.05 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 837' ' ' TYR . 1.0 OUTLIER -65.8 -15.77 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.106 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -95.8 -42.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -70.62 -32.03 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.839 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 10.2 pt -145.07 71.77 14.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 74.24 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.55 38.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.246 . . . . 65.04 112.344 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 27.9 tpt85 63.13 38.58 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.849 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 25.3 ttp85 -174.82 33.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.907 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 31.0 pt -82.9 -29.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.05 111.164 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -52.15 -44.37 64.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.861 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -52.38 -29.88 26.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.52 110.924 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.88 -53.96 10.41 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 71.41 112.479 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.46 -35.15 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.724 0.297 . . . . 74.13 110.83 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -76.18 -37.17 58.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.87 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -65.61 -40.96 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 32.3 pt -74.62 -25.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.082 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -61.14 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.872 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.926 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.945 0.403 . . . . 71.53 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.8 -56.01 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.897 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -51.85 -46.43 64.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 73.33 111.117 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 19.3 mt -55.21 -54.59 41.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.945 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 43.4 mm -53.4 -52.57 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 75.4 111.144 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -58.43 -44.66 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.933 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -53.31 -54.57 34.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.866 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.61 -38.74 87.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.828 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.62 -59.81 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.944 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -61.44 -48.27 81.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.05 110.85 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.7 t -53.76 -47.92 70.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 71.44 110.895 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.8 -50.78 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.933 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.02 -60.63 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.868 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.83 -37.53 66.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 61.25 110.86 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -65.9 -45.0 83.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 62.24 110.85 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 53.6 p -61.64 -47.35 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.895 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -63.17 -59.41 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.904 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -52.12 -38.8 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.14 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -63.21 -58.08 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.54 110.912 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.61 -48.78 57.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -66.92 -29.82 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.904 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -68.1 -58.94 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.38 -43.84 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.946 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.5 tt -62.34 -42.32 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.57 -54.43 43.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.906 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.44 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.162 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.66 -59.81 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.13 111.152 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 53.5 p -51.97 -46.77 64.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.171 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -53.07 -60.59 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.1 mm -52.01 -42.95 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.21 111.163 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.09 -45.99 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 75.05 111.166 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.95 -47.83 76.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 70.22 110.858 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.05 -26.49 68.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.961 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.6 -23.93 56.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.868 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -53.15 -46.17 62.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 64.42 112.492 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -84.23 -24.15 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 75.11 110.866 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.51 11.49 21.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.874 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -53.34 -28.91 36.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 73.35 112.501 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -82.84 -62.06 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 74.14 110.915 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -52.1 -55.79 18.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.868 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.25 -52.09 48.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.085 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.27 -57.04 9.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.923 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -51.71 -41.68 61.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.902 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -58.38 -58.87 6.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -50.54 -46.33 57.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 75.34 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -62.69 -56.14 20.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.943 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -53.29 -56.53 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 65.42 110.888 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mt -54.46 -41.16 69.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.907 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.1 -56.76 17.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 54.13 110.954 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.881 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -60.26 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 72.35 110.891 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -57.57 -47.62 81.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.908 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.0 t -51.5 -61.33 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.04 110.847 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -57.65 -33.97 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 71.14 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.48 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.899 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.43 -35.71 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.876 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -66.92 -59.95 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.912 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.82 -44.42 77.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.9 t -64.39 -49.87 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.83 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.54 -53.37 38.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.093 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 68.4 t -63.18 -38.44 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 72.11 111.101 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -65.61 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.905 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -47.0 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.855 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -34.92 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.904 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.33 -60.35 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.83 -41.81 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.167 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 98.5 m -64.9 -41.74 95.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.44 111.106 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.71 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.112 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.72 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -75.54 -27.47 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.31 111.05 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 75.2 t -86.63 -26.07 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 74.11 111.11 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -73.56 -25.3 60.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.14 111.1 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -93.38 17.09 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.897 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -127.73 64.54 0.59 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.702 -0.761 . . . . 74.41 112.452 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 7.2 m -71.18 -17.51 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.747 0.308 . . . . 65.12 111.108 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -52.92 -41.53 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 74.15 110.922 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -60.74 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.854 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -57.26 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.147 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -30.86 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.34 111.106 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.3 -63.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.22 -35.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.144 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.51 -60.66 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 64.42 110.883 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.59 -34.28 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.21 32.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 72.11 111.089 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.72 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.099 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.24 -40.27 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.946 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -57.51 -50.09 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.14 110.84 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.81 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.13 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 32.6 mm -64.34 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 75.14 111.128 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -71.2 -41.97 69.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.893 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -71.07 -31.65 68.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 70.3 110.84 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 39.0 mt -134.72 77.25 58.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.656 0.741 . . . . 75.11 111.112 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -48.01 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 74.53 112.314 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 52.06 86.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 75.33 110.858 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -56.89 -26.31 58.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 74.1 110.882 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 44.2 mm -75.52 -35.22 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.101 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -69.01 -26.19 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.855 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -60.11 -30.92 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 75.15 110.901 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -74.87 -54.06 6.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 75.14 112.464 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.76 -30.51 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 73.43 110.891 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -79.42 -44.83 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.875 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 71.14 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.3 pt -68.73 -28.02 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.3 111.137 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -61.42 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.14 110.903 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.881 179.899 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.897 0.38 . . . . 63.42 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 2.4 pp -51.97 -46.34 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 71.33 110.934 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.14 74.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 61.54 111.102 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 19.5 tp -69.76 -54.82 11.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.928 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 18.3 pt -59.86 -36.37 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.23 111.181 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -67.91 -52.47 36.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.879 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -55.19 -45.05 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 74.01 110.895 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -62.86 -51.43 67.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 73.01 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -46.84 64.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.03 110.95 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -69.0 -34.03 74.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 6.6 p -65.14 -44.17 89.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.888 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -47.63 56.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.9 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 12.9 t -59.89 -49.51 77.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.11 110.85 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.89 -52.17 61.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 65.45 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -56.48 -47.21 79.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.05 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 16.6 m -58.53 -59.37 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.837 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -55.44 -57.93 9.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 71.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -39.1 59.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.829 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -62.77 -58.29 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.854 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.9 tp -50.65 -48.63 58.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.11 110.903 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.844 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.8 -58.92 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.61 -42.17 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 70.23 110.967 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.53 -45.61 91.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.93 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.39 -54.45 40.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 75.42 110.909 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.69 -60.09 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.4 111.125 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 91.2 t -51.53 -58.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 64.34 111.169 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 98.2 m -51.73 -47.82 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.147 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.27 -55.57 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.01 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.58 -44.32 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 73.02 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.71 -42.38 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 63.41 111.149 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -80.28 -25.26 39.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.03 110.926 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.1 mp -77.74 -22.22 50.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 73.24 110.978 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -23.03 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.907 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.64 -52.49 37.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 75.12 112.492 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -85.44 -21.27 28.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 72.14 110.875 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -90.26 11.38 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.869 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.91 -28.83 33.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 75.13 112.45 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -73.99 -52.57 12.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.7 0.286 . . . . 74.21 110.902 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -50.94 -41.32 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 74.44 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -62.06 -59.2 5.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 71.12 111.092 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -33.19 41.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.905 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -45.77 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.907 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.5 -49.95 75.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.947 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -59.94 -46.56 89.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 63.31 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -62.65 -49.65 74.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 75.15 110.878 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.05 -60.53 3.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.35 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 1.2 mp -51.88 -44.64 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.891 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.78 -58.31 8.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 72.15 110.892 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.48 -31.02 67.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.868 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -60.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 72.2 110.954 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -58.79 -47.32 85.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 74.4 110.863 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.5 t -52.06 -61.01 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.879 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -58.48 -33.26 69.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.878 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -49.76 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.921 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.27 -34.98 77.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 75.23 110.927 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -68.04 -58.98 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.899 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -57.15 -44.87 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 65.04 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 27.7 t -63.13 -51.41 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.01 110.83 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.7 43.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 63.54 111.081 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.76 -37.33 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 61.22 111.138 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.66 -36.3 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 61.04 110.852 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.61 -43.44 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.91 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.25 -51.55 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 65.12 110.95 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -59.65 -58.66 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 75.11 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.32 49.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.2 m -62.64 -40.6 97.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 75.32 111.168 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.46 74.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.13 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.3 -34.31 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.152 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.2 -25.72 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 71.42 111.13 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.57 -26.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.162 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -86.73 4.09 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.33 111.106 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -124.23 17.19 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.889 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -65.21 -110.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 44.03 112.513 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 15.3 t -80.96 -17.5 50.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 74.21 111.188 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.04 -43.66 63.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -58.62 -35.72 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.922 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.2 -34.81 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 74.03 111.156 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.6 mm -73.32 -40.47 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.12 111.162 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.84 -42.3 67.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.903 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.44 -36.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.142 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.14 -54.44 12.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -60.76 -37.9 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.15 -54.54 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.101 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.63 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.072 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -57.03 -62.18 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 73.12 110.908 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -43.89 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.904 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.59 -53.17 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -79.6 -10.71 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 70.35 111.12 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -75.79 -43.95 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.868 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -106.87 -15.18 14.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.889 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 72.2 mt -139.49 87.31 13.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 63.35 111.136 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.81 15.15 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.712 2.275 . . . . 74.14 112.378 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -158.32 26.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.828 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.12 29.96 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.885 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.25 -26.9 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 75.32 111.132 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -27.49 59.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.876 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -51.96 -32.17 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -63.57 -55.05 27.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 75.41 112.496 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.4 -28.61 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 75.12 110.929 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -78.11 -28.6 48.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 70.43 110.897 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -80.82 -35.79 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 15.4 pt -91.42 15.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 72.25 111.124 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.96 -60.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 72.12 110.87 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.948 0.404 . . . . 73.24 110.798 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 42.1 mt -54.76 -47.02 74.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 63.41 110.933 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.83 63.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 62.24 111.126 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 20.9 tp -70.32 -55.63 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.04 -36.56 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 74.15 111.15 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -67.45 -44.99 77.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.849 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.08 -44.95 90.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 53.23 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -62.31 -49.11 76.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.11 110.838 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.97 -57.59 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.3 110.907 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -58.93 -31.95 69.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.875 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 29.2 t -65.75 -54.69 23.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 63.24 110.879 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.4 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 74.21 110.934 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 2.1 m -58.48 -60.19 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.881 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.01 -36.17 72.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 75.33 110.921 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.73 -59.12 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.895 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.5 t -56.02 -53.54 55.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 65.24 110.875 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -54.25 -55.17 30.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.1 110.889 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.42 110.901 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -61.21 -58.09 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.23 -51.88 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -62.04 -31.61 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.871 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -65.98 -59.19 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.03 110.88 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.01 -48.67 75.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.926 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.09 -41.51 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -66.08 -58.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.143 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.53 -43.95 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 63.43 111.143 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 98.8 m -61.7 -52.74 63.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.149 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -50.79 -45.45 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.905 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 43.1 mm -62.91 -45.17 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.51 111.119 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 86.0 t -55.63 -40.71 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.161 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -79.83 -26.54 40.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 65.14 110.872 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -23.67 54.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 62.23 110.901 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -13.85 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.51 110.867 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -81.79 -30.28 36.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 72.35 112.459 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -85.39 -37.41 19.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.12 110.904 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -59.84 -23.91 63.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -69.09 -24.17 75.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 73.43 112.526 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -82.87 -54.67 4.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 74.13 110.927 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -49.74 -43.21 47.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 75.23 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -58.88 -58.78 7.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 65.11 111.08 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.96 -33.23 50.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 71.52 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -67.23 -45.33 77.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.937 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -61.9 -47.19 86.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.905 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -58.99 -47.8 83.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 73.05 110.922 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -65.86 -48.51 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.45 110.956 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -57.64 -57.3 13.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.32 110.893 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 4.8 mp -57.36 -41.47 80.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.84 -59.17 5.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.944 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.937 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -62.73 -60.18 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.935 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -57.88 -48.06 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 74.33 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.7 t -52.1 -61.05 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 72.44 110.885 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -57.79 -32.82 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 62.22 110.928 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.85 -50.29 74.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.2 -35.15 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.51 -59.44 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -56.95 -44.72 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.4 t -63.19 -51.31 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.895 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.79 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 64.35 111.041 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.81 -37.32 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 75.32 111.129 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 73.51 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.64 -43.52 69.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 65.4 110.906 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.11 -51.63 65.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.956 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -58.73 7.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.906 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.77 -43.24 48.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.074 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.65 -40.82 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 74.12 111.149 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.56 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.53 111.059 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.19 -34.36 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.55 111.117 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.16 -25.84 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.15 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.62 -26.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.53 111.141 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -70.3 -24.07 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.52 111.099 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -96.13 -5.54 40.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.9 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.02 119.67 1.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 41.14 112.487 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 5.4 t -77.86 -17.58 57.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 65.15 111.14 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.98 -41.44 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.881 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -59.31 -56.69 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 73.04 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 60.0 t -54.55 -40.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.01 111.192 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.25 -58.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 75.22 111.178 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.97 -37.51 53.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.03 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 91.6 t -72.48 -49.33 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.31 111.098 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.67 -49.24 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.76 -41.87 71.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.876 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.91 -52.27 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.122 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -68.18 -50.96 50.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.134 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -52.09 -51.34 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.97 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -66.95 -38.96 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 71.15 110.838 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.17 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -26.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.43 111.168 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -73.73 -27.56 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -108.51 -31.36 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.838 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 79.0 mt -134.18 80.97 51.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 74.31 111.173 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 100.15 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 75.13 112.323 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -174.53 71.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.1 110.91 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -177.92 -35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.821 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 20.3 pt -51.77 -30.01 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 64.2 111.129 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 41.0 mmt-85 -64.24 -62.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.845 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -58.74 -40.33 83.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.94 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.15 -53.88 30.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 60.11 112.508 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.7 -46.06 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 72.33 110.92 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.51 -36.11 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -65.04 -35.76 82.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.36 15.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.43 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp -108.1 -46.82 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.953 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 73.45 110.931 179.894 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.95 0.405 . . . . 72.34 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 20.5 mt -51.93 -57.7 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 75.4 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -52.24 -44.71 65.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.54 111.087 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.43 -54.22 46.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.917 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.94 -49.7 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.43 111.111 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -57.43 -52.01 67.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.916 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -52.73 -46.85 67.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -61.99 -56.73 16.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.31 -59.96 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.883 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -52.57 -52.76 53.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 71.14 110.898 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 46.9 t -54.21 -42.05 69.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.82 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.63 -52.7 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.22 110.901 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.81 -58.04 10.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.876 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 64.2 mt -52.89 -50.4 63.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -58.42 -41.4 84.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.1 110.898 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.9 t -59.22 -56.47 21.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.805 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.57 -55.13 38.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.9 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -53.38 -40.36 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.85 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -62.53 -58.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.828 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 56.6 mt -49.89 -50.19 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.895 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.95 -56.62 15.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.21 110.87 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.49 -49.2 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.941 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.2 -31.55 70.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.91 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.16 -57.49 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.914 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 22.3 pt -58.02 -34.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.134 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.94 -63.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.112 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 10.9 t -55.36 -29.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.074 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -69.61 -59.44 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 73.32 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.86 -33.66 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.107 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 83.9 t -73.8 -37.99 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.145 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -75.98 -28.92 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.919 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.06 -42.92 20.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.964 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.75 -25.54 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.96 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -56.81 -44.98 91.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 62.21 112.462 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -85.91 -25.79 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 74.3 110.902 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -90.55 11.48 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 71.05 110.881 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -53.78 -26.72 33.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 75.4 112.494 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -59.61 -58.99 6.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.755 0.312 . . . . 74.54 110.896 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -54.25 -53.71 49.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.902 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.22 -54.21 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.079 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.72 -52.34 49.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.945 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -54.12 -41.04 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.899 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.3 -54.45 43.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.95 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -53.35 -45.36 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 74.24 110.919 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -66.0 -51.18 60.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.927 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -55.14 -56.43 20.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 75.31 110.884 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 -42.11 85.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.945 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tt -53.85 -58.42 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.939 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -59.23 -38.61 80.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -60.33 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.922 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.944 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 3.7 t -51.85 -61.17 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.42 110.892 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.16 -33.95 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 75.42 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.16 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.898 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.02 -35.52 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.915 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -59.47 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 64.22 110.893 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.18 -44.34 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 28.4 t -63.5 -51.42 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.34 110.843 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.45 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.129 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.0 -37.36 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.111 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.64 -36.31 82.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 62.54 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.76 -43.38 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.899 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.22 -51.51 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 74.32 110.944 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.86 -43.28 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 61.22 111.098 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.65 -40.72 97.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.53 111.169 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.45 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 62.52 111.149 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.5 mm -72.24 -34.39 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.15 111.108 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.14 -25.88 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.114 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.57 -26.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.147 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.7 -24.72 64.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.25 111.124 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -75.44 -6.41 49.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 74.3 110.902 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -95.64 162.83 23.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 74.02 112.473 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.27 -17.45 45.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 75.31 111.139 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -57.02 -37.22 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -64.43 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.46 -46.19 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 51.3 mt -65.68 -34.84 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.2 111.105 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.7 -49.88 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.922 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -34.45 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.36 -59.21 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.94 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.39 -43.17 99.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.885 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.71 18.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 51.34 111.101 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.29 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 61.41 111.053 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -53.06 -50.68 63.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.935 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -47.86 -57.71 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -52.91 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.04 111.079 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 23.2 mt -51.68 -25.33 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 74.34 111.102 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.33 -55.75 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.833 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -90.83 8.19 36.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.846 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 31.5 mt -104.95 130.86 22.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 73.35 111.127 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 79.39 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.655 2.236 . . . . 71.31 112.341 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -172.11 151.1 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 75.41 110.881 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -122.65 85.12 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.903 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 46.4 mm -82.9 -26.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.151 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -27.46 66.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.84 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -52.04 -56.09 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 71.34 110.918 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.64 61.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 75.12 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.11 -44.21 74.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 74.24 110.898 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -83.44 -31.31 26.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -60.19 -38.61 83.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.64 -30.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.51 111.1 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -62.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.941 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.966 179.861 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.893 0.378 . . . . 74.32 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.78 -45.35 74.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 71.12 110.895 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.51 -32.67 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 63.53 111.134 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.42 -54.7 11.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.881 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.06 -35.38 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.093 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -70.75 -46.28 63.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.921 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.82 -39.57 89.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.873 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -69.4 -54.69 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.02 -52.43 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.882 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -60.71 -54.12 49.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.865 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.2 t -52.16 -45.17 64.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.893 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.49 -42.23 98.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 70.32 110.937 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 7.6 t -59.93 -62.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 4.8 tp -55.24 -52.27 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.04 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -54.33 -45.49 72.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.14 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 4.9 m -57.92 -53.01 63.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.865 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -55.4 -60.79 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.93 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -53.16 -40.29 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 71.53 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.57 -57.95 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.863 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.06 -49.49 51.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.922 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.1 -31.59 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.851 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -63.62 -56.83 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.874 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.81 -45.44 93.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 75.03 110.902 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.08 -31.22 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.876 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 4.8 tt -70.75 -54.48 11.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.902 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.9 tp -59.97 -36.67 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.138 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.73 -63.02 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 73.3 111.123 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 7.4 t -55.59 -28.47 55.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 75.41 111.164 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -71.29 -57.71 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 82.8 mt -60.49 -37.54 75.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 72.42 111.09 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.8 -46.33 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.177 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -64.91 -39.91 94.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.858 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.0 tp -67.42 -45.53 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 70.43 110.924 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.03 -1.26 47.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.894 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.33 -27.9 26.02 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 74.43 112.489 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -84.85 -35.87 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 75.41 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.43 11.34 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.831 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -73.24 -16.7 78.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 74.23 112.491 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -58.96 -62.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 64.34 110.905 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.77 -48.58 63.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.864 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.83 52.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 63.31 111.114 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 15.2 mt -50.54 -56.45 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 72.31 110.94 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -51.95 -44.8 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.908 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -54.74 -62.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -47.39 -47.19 26.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 74.31 110.926 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -62.65 -39.68 94.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 65.24 110.908 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -66.33 -56.46 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 61.24 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 36.6 mt -52.0 -49.58 63.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.88 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -57.58 11.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.919 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.11 -33.49 65.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.929 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -60.31 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.94 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -58.84 -46.79 86.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 73.42 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.7 t -52.49 -60.99 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 35.01 110.843 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.25 -33.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 63.14 110.938 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.03 -50.21 74.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.01 -35.6 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -59.85 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.885 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.81 -44.41 81.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.882 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 34.9 t -63.4 -51.72 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.842 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.12 -52.53 42.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 70.31 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.09 -37.18 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -66.82 -35.77 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.91 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.22 -43.3 67.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 70.53 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.48 -50.8 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.932 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -58.15 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.865 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.17 53.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.13 111.091 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 49.6 m -63.07 -41.52 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 75.15 111.167 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.48 93.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 62.44 111.095 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.69 -35.6 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.45 111.161 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.55 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.21 111.115 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 72.8 t -86.51 -28.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.119 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -63.19 -23.92 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.085 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -80.03 -5.81 56.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.817 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -124.99 -177.9 15.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 64.11 112.501 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.9 m -80.97 -17.56 50.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 75.03 111.143 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -51.65 -37.19 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.861 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -63.11 -60.2 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.835 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 99.0 t -52.69 -45.52 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.154 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.48 -39.83 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.134 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.2 -52.37 65.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.85 -35.46 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.44 111.135 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.71 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.11 -44.75 94.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 62.14 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.43 -51.99 65.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.088 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.84 98.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 54.25 111.098 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.78 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.919 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -43.12 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 74.45 110.865 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.93 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 64.31 111.117 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.7 tt -71.63 -11.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.184 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -78.94 -33.97 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -110.33 -6.93 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.61 130.71 19.7 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.616 0.722 . . . . 75.34 111.08 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 124.19 10.83 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.651 2.234 . . . . 72.52 112.284 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -52.41 103.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.892 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -175.29 93.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 5.3 mp -75.09 -26.86 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 74.04 111.16 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -52.14 -57.25 10.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.864 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -53.36 -38.92 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.952 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.67 -45.88 72.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 54.11 112.514 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -42.69 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 74.24 110.943 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.22 -28.92 57.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.816 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -67.72 -44.78 76.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.882 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 51.4 pt -71.24 -26.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.44 111.155 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -60.77 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.894 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.895 179.89 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.948 0.404 . . . . 64.32 110.836 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 3.6 mp -51.81 -56.2 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.912 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.13 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.21 111.069 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.39 -54.52 42.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 47.0 mm -53.71 -52.86 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 75.25 111.116 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -58.09 -44.33 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 65.03 110.902 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -53.67 -54.85 32.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 70.12 110.827 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -66.53 -37.73 85.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.12 110.848 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.92 -58.79 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.912 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -63.52 -38.86 92.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.905 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 35.4 t -61.34 -48.68 80.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 63.15 110.846 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.65 -54.39 36.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.93 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.8 t -56.03 -54.08 49.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.907 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 8.1 tt -57.78 -37.83 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.937 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.72 -55.64 30.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.896 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 3.3 t -57.55 -54.63 44.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.845 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -55.42 -52.78 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.944 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -53.69 -40.59 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 70.22 110.876 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.73 -57.85 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.856 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.73 -49.01 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.924 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -66.57 -29.59 69.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 75.35 110.882 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -68.15 -59.01 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.819 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 17.5 tp -60.29 -43.74 96.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.902 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.47 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.913 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.45 -54.26 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.932 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.9 mm -55.82 -56.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.142 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 87.4 t -51.63 -62.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.164 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 69.3 p -51.8 -40.43 60.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.13 111.162 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -58.58 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.0 mm -53.46 -42.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 75.1 111.106 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.77 -46.73 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 65.42 111.153 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.12 -54.19 19.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.9 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.62 -29.72 59.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.921 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 27.7 tp -76.71 -25.68 53.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.02 110.926 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.31 -52.5 36.28 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.775 -0.726 . . . . 73.12 112.471 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -82.03 -26.23 33.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 75.32 110.858 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -56.64 -25.92 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.828 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.95 -30.13 36.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.784 -0.722 . . . . 75.24 112.438 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -71.05 -61.84 1.61 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.782 0.325 . . . . 72.42 110.935 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.14 -53.89 50.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.839 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.06 -54.85 21.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 51.23 111.083 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 17.2 mt -51.42 -54.47 26.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.23 110.907 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -41.3 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.899 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -61.42 -53.71 52.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 63.54 110.946 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -52.59 -45.51 66.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.855 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -67.31 -53.13 32.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 74.23 110.952 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -51.6 -53.86 33.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.931 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.887 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.06 -54.19 49.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 65.34 110.934 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -61.72 -37.34 83.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.908 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -60.14 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 73.02 110.942 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -58.67 -47.47 84.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -51.65 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.51 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -58.35 -33.73 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 70.33 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.28 -50.38 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.82 -35.11 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.52 -59.83 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.886 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.53 -44.8 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.896 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.5 t -63.15 -51.2 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.867 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.22 37.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.088 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.09 -37.91 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.139 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.84 -37.26 85.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.919 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.21 -44.83 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.963 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.73 -53.57 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.878 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -48.3 -42.77 31.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 53.31 111.072 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 53.6 m -60.01 -44.75 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 74.05 111.157 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.1 -28.35 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.096 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.25 -38.21 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 75.41 111.19 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -81.89 -26.41 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 54.22 111.108 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.41 -26.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 73.11 111.157 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -70.07 -15.22 62.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 63.34 111.08 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -68.34 -12.31 60.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . 112.46 -13.46 25.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.728 -0.749 . . . . 75.5 112.468 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.6 t -61.78 -17.48 56.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 71.2 111.116 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -51.58 -33.46 32.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 64.1 110.85 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -58.13 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.32 110.858 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.66 -41.74 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 70.2 111.103 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.17 -45.51 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 71.14 111.12 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.28 -37.22 74.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.11 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.07 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.53 -40.67 60.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.8 -55.46 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.909 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.52 -51.86 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.122 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.2 34.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 65.2 111.08 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.97 -58.1 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.933 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -54.92 -39.25 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.862 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.31 -60.58 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 65.44 111.073 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -26.26 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.067 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.77 -30.92 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.835 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -77.49 -31.97 53.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.856 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 25.2 pt -79.96 145.28 61.06 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 74.11 111.139 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -171.66 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 73.4 112.361 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.34 70.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.845 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -131.92 160.31 36.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.923 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 11.8 tt -52.68 -36.3 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.11 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -55.33 -26.52 41.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.886 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -51.91 -45.99 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.34 110.924 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.53 -46.18 63.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 72.51 112.504 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 32.7 tp -52.39 -47.6 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 74.52 110.926 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.55 -37.18 57.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 65.23 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -49.81 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.21 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.27 -18.18 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 63.51 111.097 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 11.3 mt -93.91 19.15 9.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.946 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.913 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.885 0.374 . . . . 74.52 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 16.6 tp -53.46 -43.51 68.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 74.03 110.894 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -69.68 -26.68 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 64.12 111.132 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.44 -56.24 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.932 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.3 -40.23 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.02 111.105 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -66.34 -48.09 71.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.92 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -55.27 -48.78 73.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.913 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -68.84 -32.85 72.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.893 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -51.95 67.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.912 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -69.58 -46.73 65.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.864 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 1.7 t -57.29 -53.94 52.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.54 110.841 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 10.3 tt -62.04 -52.23 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 74.54 110.901 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 39.8 t -53.59 -40.26 65.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 71.04 110.881 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.94 -52.28 51.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 75.35 110.91 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -52.88 -57.46 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 17.3 t -56.81 -48.08 78.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.833 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -56.82 -42.9 80.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.04 110.937 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 74.54 110.905 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.07 -57.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 60.4 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -48.52 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.891 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.63 -28.39 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.889 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -53.28 24.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 72.4 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -44.04 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.923 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -42.27 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.53 110.899 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.49 -52.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.84 -57.94 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.104 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.57 -60.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.101 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 95.5 m -51.51 -47.36 63.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 73.2 111.147 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -51.91 -52.89 46.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.894 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.74 -46.65 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.83 -40.51 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 71.32 111.131 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -79.68 -47.24 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 70.42 110.871 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.49 -18.4 39.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 74.35 110.938 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 18.3 tp -92.66 -59.6 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.938 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -87.7 -55.8 2.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 74.14 112.449 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -23.19 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 73.04 110.847 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.39 -33.55 14.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.853 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.68 -41.59 57.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 72.14 112.471 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -81.27 -29.79 34.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.717 0.294 . . . . 74.11 110.903 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.62 -58.24 8.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 72.33 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.0 38.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 72.01 111.06 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 14.4 mt -49.55 -57.95 6.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 72.33 110.917 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.89 -46.2 60.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.902 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -52.78 -62.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.944 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -48.14 -42.31 29.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 72.35 110.926 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -66.03 -39.43 90.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.932 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -64.76 -56.65 12.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 70.24 110.925 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.27 -47.21 75.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.25 -57.13 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.897 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.12 -34.55 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.902 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -55.77 -48.74 74.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.9 t -51.59 -61.13 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 72.34 110.847 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.02 -28.27 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.53 110.952 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -37.88 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.906 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.78 -39.44 64.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -38.74 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.854 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.76 -44.48 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 55.22 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 17.0 t -68.99 -45.84 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 64.13 110.881 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 75.04 111.099 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.52 -38.21 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 73.2 111.152 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -66.42 -35.31 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.905 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.7 tp -71.61 -44.02 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.905 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.09 -51.15 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 75.52 110.936 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -60.27 -58.55 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.886 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.93 -43.01 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 75.31 111.141 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.86 -40.82 98.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 75.2 111.181 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -68.11 -33.51 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.45 111.079 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.29 -34.39 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.24 111.158 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.73 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.063 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.4 p -86.64 -26.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.119 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -86.25 -25.01 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.24 111.135 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -96.83 17.13 17.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.888 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -52.41 -78.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 43.53 112.503 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.6 m -70.78 -17.55 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 72.35 111.099 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -51.73 -35.28 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 64.33 110.857 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -64.92 -58.3 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.31 -39.26 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 75.55 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.2 mm -70.69 -35.43 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 74.25 111.14 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -68.02 -44.25 76.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 63.52 110.876 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.54 -39.5 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.32 111.103 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.5 tp -71.38 -42.95 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -65.29 -50.03 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.53 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.9 -50.43 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.148 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.6 -56.87 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -58.03 -38.91 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.958 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -54.35 47.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 73.33 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.3 96.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 74.42 111.102 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.3 mt -62.1 -37.17 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.44 111.078 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -80.87 -27.42 36.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.927 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -75.62 -32.07 60.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.855 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 12.1 tt -83.32 131.2 53.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 74.05 111.164 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -48.89 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.709 2.273 . . . . 72.53 112.304 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.03 78.33 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 73.5 110.864 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 23.8 ttm-85 -174.67 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.897 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 6.9 tp -51.81 -30.57 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.113 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -63.22 -59.3 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.41 110.851 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -52.54 -39.56 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.924 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.22 -50.02 29.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 71.51 112.479 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -37.65 68.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 75.44 110.897 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -82.92 -29.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.14 110.869 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -63.6 -47.93 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.21 110.887 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.9 -25.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.161 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -38.63 91.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.33 110.884 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.932 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.9 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.955 0.407 . . . . 73.21 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.81 -38.26 64.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 52.44 110.826 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -64.21 -57.99 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.24 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 19.7 mt -50.85 -47.66 60.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -69.2 -28.8 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 55.33 110.849 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -69.02 -56.91 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 778' ' ' VAL . 69.0 mt -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 779' ' ' THR . 30.0 mt -63.0 -46.26 88.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.902 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.47 -50.85 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 70.32 110.928 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.3 mt -55.32 -58.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.093 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 782' ' ' VAL . 98.1 t -52.13 -58.61 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 54.43 111.137 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 775' ' ' LEU . 46.5 p -51.71 -49.2 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 71.53 111.144 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -52.17 -53.1 47.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.35 -36.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.03 111.128 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 778' ' ' VAL . 73.7 t -62.38 -45.17 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 63.54 111.133 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.885 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.825 0.345 . . . . 52.14 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -63.88 -33.74 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.32 -58.54 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 63.54 110.932 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -59.94 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.909 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.9 t -51.96 -61.3 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.11 110.858 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.41 -32.21 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.916 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -62.89 -48.78 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.26 -34.87 75.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 808' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 812' ' ' VAL . 34.0 ttpt -69.14 -57.77 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.927 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.88 -45.09 86.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.871 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 14.9 t -63.16 -51.09 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 74.15 110.915 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.43 47.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 65.43 111.099 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 812' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 808' ' ' LYS . 58.7 t -63.06 -37.22 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 71.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.87 -35.89 81.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.86 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.13 -43.18 68.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.922 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.55 -50.83 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -60.63 -58.23 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 55.01 110.864 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.33 -43.25 53.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 55.33 111.127 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.9 m -63.04 -41.18 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.35 111.152 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 61.53 111.076 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.59 -35.6 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 61.41 111.138 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.1 -28.11 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 42.12 111.092 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 818' ' ' THR . 69.9 t -86.51 -25.78 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 65.3 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 62.15 111.102 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.798 0.332 . . . . 75.41 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.1 -45.58 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.893 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 832' ' ' VAL . 18.3 tpp180 -55.33 -54.4 44.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.45 -41.46 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 54.41 111.119 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.33 -51.14 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 63.14 111.148 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 64.15 110.893 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 828' ' ' ARG . 71.3 t -71.9 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 73.11 111.13 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.74 -44.66 63.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.872 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.49 -54.7 28.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.33 110.885 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.27 -55.26 29.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 71.15 111.124 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -53.77 -60.07 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.082 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -54.36 -32.72 57.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 64.3 110.903 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -52.39 60.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.86 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.01 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.01 111.099 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 40.4 mm -73.26 -36.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -69.47 -48.06 61.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.91 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 61.45 110.865 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.775 0.321 . . . . 74.14 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -52.06 -43.73 63.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.936 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.1 -49.14 49.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.04 112.531 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 37.8 tp -51.97 -46.88 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 52.53 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -74.05 -33.75 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -63.3 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.87 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -92.98 15.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.173 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.892 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.8 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.87 0.367 . . . . 74.13 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.97 -39.71 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 73.21 110.857 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -64.55 -58.06 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 61.03 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.84 -47.39 60.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.919 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -69.67 -28.76 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.76 -57.28 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.915 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -64.85 -41.01 96.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.872 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 779' ' ' THR . 31.0 tp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 53.03 110.946 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.09 -51.77 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.4 110.936 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.2 mt -54.23 -57.49 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.151 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 782' ' ' VAL . 98.0 t -53.69 -56.96 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 61.11 111.147 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 775' ' ' LEU . 43.2 p -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.24 111.077 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -62.53 -51.93 65.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 70.32 110.853 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.15 -40.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 778' ' ' VAL . 60.0 t -64.17 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.154 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 63.32 110.912 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.806 0.336 . . . . 64.31 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -58.18 -33.13 68.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.51 110.899 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -60.07 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 72.22 110.896 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -58.13 -46.85 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 61.22 110.942 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -52.11 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 63.05 110.899 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -58.35 -33.86 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.22 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.17 74.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.884 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.86 -35.87 79.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 65.42 110.885 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -66.84 -59.94 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 52.51 110.897 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.55 -44.5 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 72.33 110.844 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.2 t -63.49 -51.18 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 61.11 110.86 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.32 -52.79 42.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 35.3 111.139 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.84 -37.32 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.15 111.092 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.74 -35.85 81.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 70.42 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 814' ' ' LEU . 4.2 tt -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.898 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.43 -50.88 68.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.937 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.57 -58.24 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.54 110.922 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.28 -43.12 53.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 60.34 111.07 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.8 m -63.05 -41.57 99.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 65.33 111.116 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.53 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.072 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.7 -35.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 52.1 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.31 45.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 53.44 111.082 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 818' ' ' THR . 72.5 t -86.48 -31.38 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 71.23 111.118 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 60.41 111.109 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 826' ' ' THR . . . . . 0.479 HG22 HD11 ' A' ' 830' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.829 0.347 . . . . 74.01 111.177 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -53.62 -32.82 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.24 110.909 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 832' ' ' VAL . 59.2 mtt180 -67.23 -55.81 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.83 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 822' ' ' VAL . 98.3 t -56.85 -41.04 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.23 111.112 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 826' ' ' THR . 17.9 mt -67.6 -47.98 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.128 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.12 -35.9 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 828' ' ' ARG . 86.1 t -75.43 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.141 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.7 tp -51.66 -37.12 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.922 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.77 -55.97 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.91 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.07 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.1 111.125 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -70.53 -53.85 14.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.51 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -52.16 -50.38 61.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.909 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -65.3 -46.05 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.852 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.9 -53.19 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 72.21 111.092 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 15.6 tt -70.94 -30.55 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.23 111.129 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.24 -26.33 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 45.41 110.862 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.834 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.73 0.3 . . . . 71.43 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -36.36 51.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.52 -53.96 28.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 74.54 112.495 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.84 -39.08 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 70.53 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -74.29 -31.13 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.836 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -69.4 -39.98 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.851 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 25.7 pt -92.29 15.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 72.03 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 855' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 855' ' ' LEU . 5.1 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.55 110.949 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.939 0.4 . . . . 74.53 110.945 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.68 -47.85 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.829 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.96 -57.99 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.34 110.849 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.2 mp -49.45 -52.34 29.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 64.3 110.922 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -61.63 -33.46 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -58.14 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.897 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -59.1 -41.93 89.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 775' ' ' LEU . 0.3 OUTLIER -62.2 -35.53 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.874 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 776' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 776' ' ' LEU . 0.7 OUTLIER -69.29 -59.6 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 61.41 110.914 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 777' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 778' ' ' VAL . 4.7 tp -52.12 -43.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.05 111.137 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 782' ' ' VAL . 65.9 t -63.93 -63.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.112 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.3 m -51.52 -34.34 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 75.13 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -58.02 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.888 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.3 mm -57.92 -30.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.119 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 778' ' ' VAL . 95.3 t -68.3 -55.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 62.32 111.134 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.898 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.736 0.303 . . . . 75.54 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.55 -35.48 76.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 55.04 110.921 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -62.54 -60.25 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.888 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -56.03 -49.38 73.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -61.09 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.85 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 53.11 110.934 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -50.14 73.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 72.04 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.33 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.15 110.985 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -68.05 -58.88 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.94 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.22 -44.73 83.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 48.2 t -63.34 -51.2 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 72.55 110.851 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.62 44.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 60.32 111.086 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.0 -37.25 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.03 111.162 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.78 -35.76 80.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.25 -43.27 67.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 72.44 110.923 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.45 -50.88 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 60.14 110.964 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.75 -58.18 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.45 110.877 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.04 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 822' ' ' VAL . 47.0 m -63.07 -42.02 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 50.12 111.16 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.05 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 33.02 111.092 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -67.86 -36.39 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 72.42 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.05 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 74.13 111.061 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.632 HG13 ' HG2' ' A' ' 828' ' ' ARG . 78.2 t -86.4 -26.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 61.54 111.15 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.122 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 61.11 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -52.09 -46.52 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.923 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.632 ' HG2' HG13 ' A' ' 822' ' ' VAL . 10.5 tpt180 -59.7 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.35 110.846 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.3 -61.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.185 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.75 -31.82 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.33 111.141 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -62.79 -45.15 94.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.24 -39.24 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.42 111.122 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 833' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 833' ' ' LEU . 0.6 OUTLIER -63.47 -46.46 86.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 62.01 110.877 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -73.07 -33.61 65.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.61 -49.43 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 55.22 111.113 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.78 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 43.44 111.049 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.2 -52.05 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.95 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -64.42 -42.66 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.872 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.11 -58.11 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 31.35 111.116 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.5 tp -66.99 -30.64 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 60.45 111.135 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -68.46 -29.38 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.849 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.775 0.322 . . . . 72.23 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -51.96 -49.52 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.886 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.38 -42.86 81.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 73.31 112.506 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 57.6 mt -52.84 -48.76 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 65.12 110.933 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.42 -29.51 47.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.883 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -60.95 -38.96 87.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.31 110.86 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.2 15.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.128 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.904 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.881 0.372 . . . . 74.24 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -52.16 -38.62 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.03 110.88 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -65.65 -56.54 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 70.54 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 52.0 mt -49.98 -49.56 50.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 53.41 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -67.37 -32.31 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.42 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -63.68 -58.82 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 778' ' ' VAL . 25.8 tp -61.45 -44.96 96.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 64.24 110.925 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 779' ' ' THR . 9.0 tp -62.14 -32.24 72.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.933 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.64 -58.6 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.34 110.899 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 777' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 781' ' ' ILE . 5.2 tp -54.34 -40.61 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 64.15 111.102 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 782' ' ' VAL . 78.0 t -65.93 -58.1 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 775' ' ' LEU . 39.9 p -55.29 -33.89 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.135 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -58.0 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.847 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 781' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 777' ' ' ILE . 39.3 mt -54.34 -37.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.097 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 778' ' ' VAL . 94.2 t -66.72 -55.36 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 64.5 111.117 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 61.41 110.856 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.729 0.299 . . . . 74.34 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.85 -37.13 83.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 64.45 110.966 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.61 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 75.04 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -56.63 -47.47 79.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.958 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.7 t -50.9 -61.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 62.33 110.882 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 63.01 110.91 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.99 -45.97 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.89 -35.97 69.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.904 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 808' ' ' LYS . . . . . 0.471 ' O ' HG23 ' A' ' 812' ' ' VAL . 23.7 ttpp -71.61 -52.69 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.935 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.69 -45.47 94.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.858 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 20.6 t -64.15 -50.38 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.833 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.92 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 74.1 111.087 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 812' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 808' ' ' LYS . 64.3 t -63.6 -37.41 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 74.23 111.159 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -66.81 -35.63 80.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.911 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.33 -43.38 67.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 53.52 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.45 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.932 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.78 -58.18 9.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 62.13 110.903 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.2 53.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 52.04 111.085 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.5 m -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.22 111.15 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.19 93.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 70.24 111.074 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.94 -35.48 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 54.51 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.27 -27.66 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 70.03 111.098 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 818' ' ' THR . 73.3 t -86.53 -27.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 73.25 111.153 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 71.14 111.037 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 826' ' ' THR . . . . . 0.473 HG22 HG13 ' A' ' 830' ' ' ILE . 2.4 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.848 0.356 . . . . 74.4 111.189 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.89 -36.05 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.901 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -64.38 -60.17 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.5 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.41 -46.19 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.153 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.576 HG22 ' OE1' ' A' ' 834' ' ' GLN . 63.5 mt -65.88 -34.02 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.132 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.33 -49.72 70.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.09 -34.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 833' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 833' ' ' LEU . 13.3 tp -62.64 -58.67 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 834' ' ' GLN . . . . . 0.576 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.9 pt20 -63.04 -41.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.877 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.9 -55.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 64.22 111.105 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.72 -54.67 38.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.14 111.092 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 837' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 840' ' ' ILE . 11.9 t80 -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.91 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -56.69 -53.04 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.895 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 53.44 111.102 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 837' ' ' TYR . 19.9 mt -59.33 -37.15 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.54 111.123 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -83.11 -26.18 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 54.3 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.846 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 24.9 ttp85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.737 0.303 . . . . 75.14 110.835 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -52.23 -52.0 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.911 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.72 -43.99 82.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 61.44 112.495 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' A' ' 855' ' ' LEU . 0.4 OUTLIER -51.69 -49.06 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 65.11 110.908 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -78.19 -34.63 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.864 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -52.39 -49.82 63.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.845 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 39.2 pt -76.9 -20.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 73.04 111.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 855' ' ' LEU . . . . . 0.441 HD12 ' CD1' ' A' ' 851' ' ' LEU . 9.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 64.42 110.877 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.934 0.397 . . . . 64.43 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -43.62 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 74.53 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -60.79 -57.92 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.83 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.12 -52.01 38.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -61.43 -32.19 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.53 110.844 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -66.06 -59.11 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.32 110.923 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.6 mm? -55.21 -46.74 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.94 -51.65 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.925 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 776' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 776' ' ' LEU . 0.6 OUTLIER -53.98 -47.81 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.91 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.59 -39.16 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.44 111.138 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 774' ' ' LEU . 94.0 t -62.56 -62.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 74.22 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 6.3 t -54.12 -37.85 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 70.03 111.19 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -60.9 -56.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.829 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 32.4 mt -57.14 -40.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 71.52 111.128 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 778' ' ' VAL . 64.3 t -60.08 -46.53 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 54.25 111.136 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 61.42 110.862 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.748 0.309 . . . . 72.25 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.15 -59.93 4.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.929 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -58.92 -47.42 85.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 75.11 110.913 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.89 -61.16 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.12 110.848 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 74.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.47 -50.75 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.867 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.7 -35.5 78.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.51 -60.02 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.05 110.854 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -56.78 -44.29 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.3 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 16.1 t -63.51 -51.58 64.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.811 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.27 -52.68 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.24 111.125 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.79 -37.32 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.1 111.156 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.67 -36.23 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.6 tp -70.62 -43.55 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.931 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.14 -51.53 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 53.11 110.959 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -59.65 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.903 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.9 -43.29 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 75.13 111.097 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.8 m -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 42.21 111.119 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.564 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.33 -33.41 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 63.15 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.22 -34.43 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.136 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.07 -25.89 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 52.13 111.126 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.612 HG22 ' CB ' ' A' ' 827' ' ' ASP . 1.4 p -86.6 -26.35 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.107 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 55.41 111.075 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.767 0.318 . . . . 42.42 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 827' ' ' ASP . . . . . 0.612 ' CB ' HG22 ' A' ' 822' ' ' VAL . 13.7 t70 -52.95 -35.96 59.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 45.3 110.895 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 832' ' ' VAL . 5.3 tmm_? -64.55 -60.05 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.878 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.66 -39.96 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 70.13 111.143 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 54.8 mt -69.06 -55.92 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 53.11 111.165 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -51.9 -39.68 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 828' ' ' ARG . 88.9 t -69.91 -50.21 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 70.32 111.154 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.85 -53.94 34.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.893 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.09 -40.57 94.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 45.11 110.889 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.47 -52.66 64.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 70.3 111.08 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.21 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.31 111.078 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -61.23 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 63.44 110.907 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -49.59 -48.59 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 63.02 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.19 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.12 111.13 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.96 -14.84 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.25 111.086 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -74.1 -50.43 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.01 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.738 0.304 . . . . 72.12 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.95 -49.38 63.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 55.2 110.924 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.13 -46.23 88.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 43.43 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.79 -42.37 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 70.11 110.9 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -80.37 -28.55 37.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 64.34 110.904 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -66.77 -34.24 77.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.31 110.868 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.2 pt -92.28 15.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 71.11 111.131 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 855' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 855' ' ' LEU . 5.3 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.872 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.912 0.387 . . . . 75.43 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -58.55 -42.46 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -63.6 -57.77 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 64.21 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 26.5 tp -50.89 -49.88 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.55 -28.08 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.52 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.7 -54.68 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 72.13 110.845 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 778' ' ' VAL . 9.4 mp -64.44 -44.08 92.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 72.41 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 775' ' ' LEU . 0.4 OUTLIER -61.47 -44.95 96.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 71.05 110.924 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.95 -52.58 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 55.42 110.936 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 22.3 mt -53.93 -55.94 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 782' ' ' VAL . 93.5 t -52.74 -57.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.15 111.129 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.407 HG23 HD13 ' A' ' 775' ' ' LEU . 19.5 p -53.96 -40.36 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.134 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -59.32 -50.43 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.876 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.1 -37.78 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.35 111.08 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 778' ' ' VAL . 89.7 t -65.61 -37.7 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.152 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.32 110.88 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.768 0.318 . . . . 72.43 110.936 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.83 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 62.34 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.37 -59.32 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.94 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -59.42 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 64.11 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.2 t -51.89 -61.36 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 71.45 110.865 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -61.29 -32.46 72.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -62.79 -48.76 77.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.887 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -69.1 -58.23 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.863 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -56.7 -45.04 82.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.9 t -64.06 -49.52 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 63.51 110.887 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.62 -53.48 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 60.4 111.124 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 815' ' ' LEU . 48.4 t -62.97 -38.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 73.4 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.4 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 55.24 110.927 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.67 -47.1 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 815' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 812' ' ' VAL . 0.5 OUTLIER -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.909 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -68.73 -60.65 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.4 110.898 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.8 61.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.088 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 97.7 m -64.45 -41.37 96.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 73.23 111.116 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -66.41 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 52.3 111.135 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 44.8 mm -72.36 -34.91 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 75.43 111.143 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -83.75 -25.63 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.51 111.103 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.3 p -86.72 -26.59 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.118 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 62.23 111.106 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 74.12 111.113 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.09 -34.77 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 70.21 110.869 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.658 ' O ' HG23 ' A' ' 832' ' ' VAL . 22.5 mmt180 -65.55 -56.97 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.896 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.0 -44.9 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.166 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.28 -47.95 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.13 111.148 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -57.91 -36.42 72.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 65.54 110.939 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 828' ' ' ARG . 90.7 t -75.55 -60.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.04 111.092 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 833' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 833' ' ' LEU . 0.6 OUTLIER -51.59 -37.81 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.923 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 834' ' ' GLN . . . . . 0.426 ' NE2' ' HE ' ' A' ' 838' ' ' ARG . 3.6 tp60 -73.23 -55.61 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 51.23 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.55 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.13 111.137 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' ALA . . . . . 0.431 ' HB1' ' NH1' ' A' ' 853' ' ' ARG . . . -69.42 -52.79 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 44.13 111.072 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -52.11 -52.54 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 72.31 110.939 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.426 ' HE ' ' NE2' ' A' ' 834' ' ' GLN . 47.4 mtt-85 -64.01 -44.71 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 64.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -52.85 -57.68 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.7 tp -66.97 -30.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 -69.09 -27.89 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.863 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 73.45 110.89 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.783 0.325 . . . . 53.21 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -51.98 -43.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.69 -53.54 30.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.16 -40.55 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.326 . . . . 70.21 110.879 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.13 -33.07 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 65.14 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 853' ' ' ARG . . . . . 0.431 ' NH1' ' HB1' ' A' ' 836' ' ' ALA . 28.0 mtp180 -62.03 -44.99 95.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 63.54 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.6 -35.8 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 74.41 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 65.55 110.93 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 27.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.901 0.381 . . . . 75.42 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -52.21 -40.67 61.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 64.23 110.833 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.78 -57.71 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 55.15 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 11.6 tp -49.65 -50.31 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -64.3 -32.64 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 64.34 110.87 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.34 -58.48 7.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 75.23 110.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 778' ' ' VAL . 7.7 mp -60.1 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 72.24 110.895 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.71 -30.7 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 64.03 110.949 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 56.9 tp -70.53 -59.16 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.892 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 12.6 pt -55.17 -39.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.05 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 782' ' ' VAL . 75.5 t -67.3 -63.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.53 111.159 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.8 m -49.15 -34.35 14.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 43.4 111.144 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -69.67 -52.62 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 2.3 tp -60.44 -25.93 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.113 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 778' ' ' VAL . 46.9 t -76.88 -52.02 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 61.12 111.104 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.43 110.901 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.809 0.337 . . . . 71.22 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -63.58 -33.68 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -62.51 -59.4 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.98 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -59.22 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.884 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.5 t -51.86 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 63.22 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.87 -35.02 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 73.13 110.904 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.6 -47.25 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 65.41 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 30.4 mt -68.98 -37.42 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.92 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.11 -58.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 53.44 110.909 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -57.64 -44.22 85.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.8 t -63.99 -51.14 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 61.41 110.833 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.17 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.44 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.29 -37.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.14 111.132 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.54 -35.92 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 65.52 110.9 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.1 -43.36 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 65.32 110.888 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 31.4 mt -63.31 -50.88 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.924 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -60.36 -58.3 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.88 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.61 53.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.039 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 47.8 m -63.22 -41.79 99.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 61.42 111.103 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.31 93.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 53.02 111.122 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.58 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 64.52 111.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.87 48.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 41.15 111.153 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.636 HG22 ' CD ' ' A' ' 828' ' ' ARG . 70.4 t -86.54 -26.05 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 61.23 111.08 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 71.22 111.139 179.843 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 74.2 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -51.66 -38.26 54.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 62.31 110.872 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.636 ' CD ' HG22 ' A' ' 822' ' ' VAL . 11.9 mtt-85 -62.0 -60.17 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.88 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 822' ' ' VAL . 99.2 t -52.58 -44.9 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.076 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.582 HG22 ' OE1' ' A' ' 834' ' ' GLN . 43.5 mm -66.92 -33.77 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 73.23 111.125 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.36 -47.36 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 63.34 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.92 -34.44 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.32 111.163 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.37 -52.71 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 43.31 110.935 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 834' ' ' GLN . . . . . 0.582 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.6 pt20 -69.92 -41.12 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.96 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.62 88.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 41.5 111.107 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.36 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 64.43 111.115 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -46.17 84.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.935 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.0 -48.16 81.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.814 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.8 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.08 -30.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.33 111.114 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -71.36 -31.0 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.871 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.881 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.737 0.303 . . . . 63.11 110.858 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.08 -32.14 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 72.11 110.882 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.65 26.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 73.11 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.811 HD22 HD11 ' A' ' 854' ' ' ILE . 0.5 OUTLIER -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 74.3 110.925 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.67 -36.79 70.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.853 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -65.81 -43.68 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.815 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 854' ' ' ILE . . . . . 0.811 HD11 HD22 ' A' ' 851' ' ' LEU . 43.3 pt -72.03 -25.78 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 74.51 111.161 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.45 110.914 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.949 0.405 . . . . 75.55 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -52.23 -39.17 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.845 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.98 -58.02 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.84 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.7 -48.82 58.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -66.75 -29.72 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.881 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -68.12 -58.9 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -60.43 -43.91 96.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 63.23 110.906 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 779' ' ' THR . 10.1 tt -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.907 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.48 -54.57 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.937 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.33 -56.79 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 72.32 111.156 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 782' ' ' VAL . 89.3 t -51.75 -59.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 54.3 111.133 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 775' ' ' LEU . 53.5 p -51.78 -48.54 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.14 111.154 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -53.81 -52.25 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 64.32 110.914 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.36 -39.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.157 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 778' ' ' VAL . 89.9 t -59.54 -44.49 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.1 111.122 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.914 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.746 0.308 . . . . 75.14 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.37 -38.81 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.929 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.18 -60.22 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.958 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -58.39 -47.59 83.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 74.45 110.932 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.6 t -51.72 -61.24 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.829 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.02 -33.82 69.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.01 110.905 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -50.42 73.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.86 -35.37 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.23 110.934 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 71.52 110.855 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.8 -44.45 81.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 63.12 110.893 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.0 t -63.37 -51.46 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 54.01 110.871 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.25 -52.79 41.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.75 -37.37 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 75.43 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -66.63 -36.21 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.65 -43.49 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.15 -51.55 65.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -58.7 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.882 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.31 48.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.098 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.8 m -62.54 -40.85 98.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.14 111.156 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.25 -33.42 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.153 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.26 -34.4 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.12 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.85 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.54 111.051 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.3 p -86.59 -26.36 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 40.12 111.147 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 55.33 111.146 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.798 0.332 . . . . 71.25 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -33.28 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.886 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 832' ' ' VAL . 25.7 mmt180 -66.92 -60.09 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.23 110.928 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 71.9 t -53.66 -43.83 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 42.25 111.131 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.571 HG22 ' OE1' ' A' ' 834' ' ' GLN . 41.5 mt -64.91 -54.75 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 75.42 111.189 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -51.93 -36.67 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 828' ' ' ARG . 88.5 t -72.55 -49.2 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 61.31 111.133 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 833' ' ' LEU . . . . . 0.412 ' O ' HD13 ' A' ' 833' ' ' LEU . 0.6 OUTLIER -52.79 -50.56 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 51.41 110.931 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 834' ' ' GLN . . . . . 0.571 ' OE1' HG22 ' A' ' 830' ' ' ILE . 7.7 pt20 -68.0 -44.0 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -56.14 -58.82 6.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 72.24 111.112 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.11 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.078 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -51.02 -64.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.94 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -43.52 61.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 64.53 110.894 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.48 -62.38 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.112 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.5 tp -69.62 -14.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.44 111.119 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -67.64 -52.19 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.42 110.896 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.85 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.752 0.31 . . . . 74.21 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -52.02 -50.9 60.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.14 110.881 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.88 -44.11 80.55 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 73.11 112.509 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 41.7 tp -51.68 -48.77 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 71.44 110.959 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.19 -35.15 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 60.14 110.913 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -52.09 -49.63 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.55 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 37.3 pt -77.48 -20.24 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 73.25 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.971 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 14.3 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.922 0.391 . . . . 75.14 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -52.74 -38.15 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 72.4 110.821 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.99 -57.94 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.11 110.847 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.76 -48.93 59.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -68.09 -28.9 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.33 110.839 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.55 -51.13 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 72.44 110.848 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 778' ' ' VAL . 29.3 tp -65.85 -44.12 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.923 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.16 -43.59 97.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.4 110.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.7 -53.06 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.944 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 27.0 mt -55.79 -59.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.124 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 782' ' ' VAL . 91.1 t -51.77 -59.19 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 61.44 111.122 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 89.2 m -51.68 -47.78 63.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.131 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -52.14 -55.26 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.43 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.1 -43.09 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 63.24 111.169 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 778' ' ' VAL . 86.6 t -55.49 -42.97 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.35 111.17 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.939 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.743 0.306 . . . . 62.3 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -54.57 -33.81 60.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 63.53 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -60.36 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 70.42 110.937 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -61.59 -47.34 85.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.927 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.2 t -51.86 -58.37 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.914 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -60.86 -34.58 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.956 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -49.79 76.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.932 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -36.37 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.937 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -66.02 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 63.31 110.874 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -57.41 -44.19 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.829 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 19.8 t -63.61 -51.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.02 110.83 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.45 45.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.087 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.08 -37.28 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 75.32 111.15 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -66.81 -35.9 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 73.55 110.867 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.07 -43.37 67.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.43 -50.78 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 71.32 110.873 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.47 -58.3 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.89 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -42.77 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.106 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.5 m -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 60.2 111.152 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 61.35 111.08 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 47.8 mm -67.98 -35.69 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.125 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.1 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.54 111.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 818' ' ' THR . 78.5 t -86.53 -27.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.01 111.098 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.41 111.073 179.872 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.337 . . . . 51.43 111.148 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 827' ' ' ASP . . . . . 0.449 ' HA ' HD12 ' A' ' 830' ' ' ILE . 0.7 OUTLIER -53.37 -37.42 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.869 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.639 ' O ' HG23 ' A' ' 832' ' ' VAL . 25.9 mmt180 -62.78 -59.46 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.858 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.31 -39.27 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.42 111.091 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.536 HG22 ' OE1' ' A' ' 834' ' ' GLN . 25.9 mt -64.29 -59.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -51.76 -38.51 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.88 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 828' ' ' ARG . 68.3 t -69.85 -43.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 41.33 111.133 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -56.88 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 834' ' ' GLN . . . . . 0.536 ' OE1' HG22 ' A' ' 830' ' ' ILE . 7.6 pt20 -59.66 -46.93 87.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.884 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.1 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 71.54 111.106 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.51 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 63.14 111.08 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.48 -60.19 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.918 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -50.83 -45.13 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.44 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 18.2 mt -64.6 -31.44 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -75.43 -38.74 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 53.53 110.833 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.798 0.332 . . . . 74.14 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -52.33 -37.58 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 64.04 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.61 -54.38 26.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 71.14 112.444 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.649 HD13 HD23 ' A' ' 855' ' ' LEU . 0.2 OUTLIER -56.2 -45.96 79.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 64.3 110.924 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -37.53 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.864 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -58.75 -47.87 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.907 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -73.73 -32.52 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 65.23 111.115 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 855' ' ' LEU . . . . . 0.649 HD23 HD13 ' A' ' 851' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.869 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.4 t80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.885 0.374 . . . . 74.34 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.37 -41.59 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.12 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -62.56 -57.95 9.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.897 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.89 -50.83 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.919 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -64.28 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.848 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -58.81 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 778' ' ' VAL . 17.8 tp -60.14 -46.94 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.874 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 779' ' ' THR . 18.0 tp -61.12 -32.15 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 65.44 110.929 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 36.7 tp -69.48 -60.35 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.944 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 9.9 tt -53.39 -41.32 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 52.53 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 782' ' ' VAL . 76.0 t -64.81 -62.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 52.11 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 775' ' ' LEU . 66.8 p -52.87 -28.68 24.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 75.1 111.118 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -70.55 -59.2 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 41.4 mm -58.69 -31.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 61.44 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 778' ' ' VAL . 96.6 t -71.92 -50.15 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.21 111.134 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 62.22 110.875 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.772 0.32 . . . . 72.31 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -54.48 -33.97 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.948 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -59.16 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -58.27 -47.45 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 74.41 110.897 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.4 t -52.29 -61.09 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.24 110.888 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -57.98 -33.3 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.93 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -50.34 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 60.21 110.85 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -67.09 -59.74 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 54.33 110.884 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -56.87 -44.58 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 61.11 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.7 t -63.22 -51.55 65.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 61.54 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.76 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.34 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.76 -37.36 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 63.14 111.121 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.62 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 64.23 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.66 -43.46 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.926 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.26 -51.52 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.91 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -59.59 -58.71 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.913 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.88 -43.27 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 65.44 111.081 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.1 m -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 63.44 111.171 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.55 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.25 -33.48 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 65.04 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.28 -34.34 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.5 111.129 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.17 -25.82 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.075 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.39 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.144 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 52.02 111.113 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.799 0.333 . . . . 73.42 111.166 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.6 -36.19 44.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.873 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -63.92 -58.93 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 95.9 t -54.01 -41.55 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.51 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.37 -34.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.144 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.42 -47.81 66.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.91 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.16 -38.67 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 75.4 111.106 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.7 -40.98 84.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 65.23 110.942 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -53.29 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.55 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 73.43 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -55.98 -59.64 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 65.21 111.057 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 837' ' ' TYR . . . . . 0.712 ' HA ' HD12 ' A' ' 840' ' ' ILE . 13.8 t80 -56.47 -40.29 74.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 71.34 110.909 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.96 -50.86 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 74.25 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.14 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 52.32 111.119 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 837' ' ' TYR . 20.8 mt -59.82 -39.57 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 51.34 111.102 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -83.32 -25.81 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.22 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.741 0.305 . . . . 74.33 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -56.8 -41.44 77.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 62.42 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.81 -49.72 57.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 63.35 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.15 -44.39 83.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 75.03 110.906 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -73.45 -29.11 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.02 110.914 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -72.21 -43.06 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.54 110.858 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 35.6 pt -73.4 -26.05 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.43 111.153 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.24 110.946 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.898 0.38 . . . . 73.12 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -52.8 -40.52 63.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 74.43 110.874 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -62.29 -57.98 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.91 -50.43 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.914 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -63.86 -32.27 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -63.19 -58.82 5.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.865 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 778' ' ' VAL . 15.3 tp -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.41 110.894 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -32.11 71.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 72.35 110.958 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.68 -61.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.952 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.9 tt -52.98 -42.9 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 73.11 111.122 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 782' ' ' VAL . 74.7 t -62.87 -63.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.04 111.103 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.2 m -52.0 -44.36 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.104 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -56.17 -53.76 53.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 30.7 mt -61.01 -42.04 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.163 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 778' ' ' VAL . 98.7 t -56.47 -43.69 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.163 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.856 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.754 0.312 . . . . 71.11 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.82 -34.34 77.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.884 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.86 -59.89 4.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.949 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -58.21 -47.75 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.928 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.85 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.84 -33.68 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.925 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -50.46 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.861 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.918 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.898 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -56.96 -44.31 82.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.0 t -63.52 -51.41 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 70.31 110.867 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.56 44.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 74.5 111.156 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.05 -37.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 71.23 111.103 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.73 -35.88 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.17 -43.19 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.923 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.51 -50.76 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 52.54 110.945 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.66 -58.25 9.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 53.23 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -43.15 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 62.33 111.144 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 822' ' ' VAL . 50.0 m -63.13 -41.26 99.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 54.53 111.122 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.39 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 72.41 111.077 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.59 -35.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.119 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.06 -28.01 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 50.31 111.118 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 818' ' ' THR . 71.9 t -86.52 -25.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 63.21 111.096 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.813 0.34 . . . . 70.04 111.165 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 827' ' ' ASP . . . . . 0.621 ' HA ' HD12 ' A' ' 830' ' ' ILE . 1.9 p30 -51.83 -51.85 53.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.861 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 832' ' ' VAL . 8.0 tpt180 -51.93 -51.5 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.885 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.38 -37.73 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.131 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 827' ' ' ASP . 20.4 mt -67.27 -53.15 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.122 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.33 -37.04 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.851 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 828' ' ' ARG . 95.6 t -74.61 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.12 111.099 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 833' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 833' ' ' LEU . 0.7 OUTLIER -51.78 -39.88 59.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.908 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -70.49 -55.44 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.54 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.31 111.122 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.59 -55.31 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.15 111.15 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -51.79 -57.09 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.95 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -53.87 -45.89 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 73.43 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.51 -61.72 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 71.31 111.12 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.72 -17.78 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.146 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -74.79 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.857 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.785 0.326 . . . . 52.41 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -51.93 -57.91 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.913 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.2 91.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 45.14 112.48 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 18.2 tp -51.94 -42.69 63.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.76 0.314 . . . . 74.14 110.929 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -86.21 -33.37 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.875 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.59 70.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.843 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.35 -13.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 63.34 111.112 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 855' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 855' ' ' LEU . 3.3 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.93 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 21.0 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.912 0.387 . . . . 72.41 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.98 -41.79 75.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 63.35 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -62.39 -57.95 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.898 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.93 -50.23 47.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.918 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -64.11 -32.2 73.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.848 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.24 -58.88 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 62.35 110.829 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 778' ' ' VAL . 33.0 tp -59.41 -47.59 84.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.941 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.01 -32.06 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 70.1 110.951 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.01 -61.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.22 110.929 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 4.8 tp -52.94 -42.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.15 111.146 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 782' ' ' VAL . 72.7 t -63.33 -63.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.2 111.094 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -51.39 -33.19 28.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 72.53 111.184 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -66.25 -56.24 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.82 -27.77 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 70.15 111.168 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 778' ' ' VAL . 92.7 t -71.35 -53.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.122 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.926 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.768 0.318 . . . . 73.52 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -57.43 -33.85 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 50.11 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -60.12 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.885 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -57.27 -47.4 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 50.22 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.2 t -51.85 -61.22 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.826 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -57.83 -33.37 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 74.24 110.927 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -50.48 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.94 -35.25 78.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 60.12 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -67.19 -59.72 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.34 110.928 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -56.74 -44.66 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.885 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.3 t -63.3 -51.25 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.84 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.78 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.113 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.75 -37.4 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.05 111.109 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -66.54 -36.28 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.65 -43.45 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 64.32 110.961 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.17 -51.54 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 60.42 110.936 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -58.7 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 70.54 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.28 48.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 71.44 111.097 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.59 -40.79 98.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.141 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.3 -33.42 74.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 53.21 111.127 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.29 -34.36 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 75.2 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.12 -25.92 29.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.067 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.58 -26.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 64.31 111.085 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 64.43 111.131 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 63.53 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.19 -39.29 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 62.15 110.841 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -53.15 56.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.51 110.87 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.1 -52.45 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.407 ' O ' HD13 ' A' ' 830' ' ' ILE . 0.0 OUTLIER -65.53 -30.73 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 65.33 111.17 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 70.3 t -74.75 -38.59 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 63.42 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.33 -47.16 87.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 62.31 110.94 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -73.45 -49.36 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.86 -42.94 76.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.12 111.136 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -72.14 -55.35 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 55.15 111.092 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.25 -44.67 65.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 70.35 110.896 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -70.7 -43.95 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 62.1 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.88 -32.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.32 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -67.87 -28.13 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.1 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 62.21 110.863 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.769 0.318 . . . . 73.24 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.19 -47.96 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 850' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 854' ' ' ILE . . . -70.14 -51.4 23.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 63.2 112.521 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.72 -23.01 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 62.31 110.934 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -91.39 -49.13 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.25 110.868 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -59.65 -26.07 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.851 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 854' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 850' ' ' GLY . 2.2 pp -90.13 -24.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 52.44 111.149 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.918 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.937 0.398 . . . . 75.23 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.26 -41.27 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.844 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -61.72 -57.55 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 63.31 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.91 -51.15 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.908 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -28.54 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.898 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.97 -57.53 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.886 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 778' ' ' VAL . 0.8 OUTLIER -60.89 -43.91 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.894 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.08 -40.76 98.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.908 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.62 -54.86 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.9 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 42.4 mm -56.82 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.15 111.157 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 782' ' ' VAL . 93.6 t -51.57 -58.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.15 111.115 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -53.12 -47.52 68.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.1 -52.73 49.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.826 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.82 -44.11 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.23 111.115 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 778' ' ' VAL . 61.6 t -55.22 -42.06 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.35 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.891 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.761 0.315 . . . . 72.24 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.05 -32.92 74.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 60.23 110.935 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -62.87 -59.15 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.909 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -59.84 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 72.34 110.926 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.3 t -52.06 -61.27 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.871 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -61.45 -31.93 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.15 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.13 -48.5 78.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 72.43 110.872 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.38 -35.1 75.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 63.24 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 808' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 812' ' ' VAL . 18.2 tttm -69.32 -57.86 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -57.75 -45.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.89 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.8 t -63.13 -51.13 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.857 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.44 -52.56 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 33.05 111.096 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 812' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 808' ' ' LYS . 46.8 t -62.95 -37.23 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 60.32 111.139 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -66.88 -35.87 81.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 70.43 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.11 -43.21 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.954 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.55 -50.87 67.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.22 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.63 -58.29 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.833 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.24 52.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 41.04 111.081 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.3 m -63.05 -41.26 99.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 63.34 111.153 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.45 93.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 55.34 111.07 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.65 -35.56 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 72.34 111.125 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.15 -28.05 48.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 61.11 111.105 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 818' ' ' THR . 71.1 t -86.59 -25.78 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.43 111.103 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 61.34 111.128 179.839 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.833 0.349 . . . . 74.41 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.95 -43.07 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.01 110.88 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.532 ' HG2' HG12 ' A' ' 822' ' ' VAL . 7.2 mmt85 -59.03 -51.43 70.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.833 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 49.5 t -57.04 -59.34 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.51 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 830' ' ' ILE . 0.0 OUTLIER -57.34 -30.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.15 111.168 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -67.06 -45.7 76.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 34.54 110.869 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 828' ' ' ARG . 66.6 t -67.34 -39.08 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 70.25 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.85 -55.58 14.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.94 -36.35 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.928 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -70.54 -55.11 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 61.15 111.111 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' ALA . . . . . 0.684 ' O ' HG23 ' A' ' 840' ' ' ILE . . . -50.35 -53.16 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.153 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 837' ' ' TYR . . . . . 0.427 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -62.47 -49.57 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.885 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -52.7 -28.42 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.84 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -80.41 -49.42 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.05 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -65.8 -15.77 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.106 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -95.8 -42.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.839 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.784 0.326 . . . . 75.12 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -52.38 -29.88 26.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.52 110.924 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.88 -53.96 10.41 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.479 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.46 -35.15 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.724 0.297 . . . . 55.33 110.83 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -76.18 -37.17 58.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.87 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -65.61 -40.96 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 32.3 pt -74.62 -25.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.25 111.082 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 70.2 110.872 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.885 0.374 . . . . 74.34 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -52.12 -38.8 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.14 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -63.21 -58.08 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.54 110.912 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 771' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 771' ' ' LEU . 0.5 OUTLIER -50.61 -48.78 57.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 44.0 110.922 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -66.92 -29.82 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 54.44 110.904 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -68.1 -58.94 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -60.38 -43.84 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 65.01 110.946 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 779' ' ' THR . 10.5 tt -62.34 -42.32 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.57 -54.43 43.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 53.14 110.906 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.44 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.162 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 782' ' ' VAL . 87.9 t -51.66 -59.81 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 62.14 111.152 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 775' ' ' LEU . 53.5 p -51.97 -46.77 64.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 71.03 111.171 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -53.07 -60.59 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.1 mm -52.01 -42.95 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.21 111.163 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 778' ' ' VAL . 84.1 t -57.09 -45.99 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 62.22 111.166 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 70.22 110.858 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 800' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 800' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 54.13 110.954 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.881 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -60.26 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 63.43 110.891 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -57.57 -47.62 81.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.908 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.0 t -51.5 -61.33 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.04 110.847 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -57.65 -33.97 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 61.15 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.48 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.899 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.43 -35.71 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.876 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -66.92 -59.95 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.912 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.82 -44.42 77.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.9 t -64.39 -49.87 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.44 110.83 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.54 -53.37 38.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.093 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 812' ' ' VAL . . . . . 0.599 ' HA ' HD23 ' A' ' 815' ' ' LEU . 68.4 t -63.18 -38.44 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 54.34 111.101 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -65.61 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.905 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -47.0 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 72.52 110.855 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 815' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 812' ' ' VAL . 0.5 OUTLIER -65.12 -34.92 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 51.23 110.904 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.33 -60.35 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.83 -41.81 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.167 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 98.5 m -64.9 -41.74 95.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.44 111.106 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.71 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 71.31 111.112 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.72 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -75.54 -27.47 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 53.22 111.05 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 818' ' ' THR . 75.2 t -86.63 -26.07 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 65.54 111.11 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 63.41 111.1 179.844 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.747 0.308 . . . . 65.12 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -52.92 -41.53 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 74.15 110.922 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -60.74 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.01 110.854 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -57.26 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.147 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.45 ' O ' HD13 ' A' ' 830' ' ' ILE . 0.0 OUTLIER -60.25 -30.86 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.13 111.106 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.3 -63.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.22 -35.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.144 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.51 -60.66 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 52.43 110.883 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.59 -34.28 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.21 32.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 55.52 111.089 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.72 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.099 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.24 -40.27 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.946 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -57.51 -50.09 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.14 110.84 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.81 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.13 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 32.6 mm -64.34 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 71.24 111.128 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -71.2 -41.97 69.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.893 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 65.15 110.84 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 848' ' ' ARG . . . . . 0.641 ' HG2' HD11 ' A' ' 851' ' ' LEU . 17.6 ttm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 75.53 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -60.11 -30.92 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 75.15 110.901 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 850' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 854' ' ' ILE . . . -74.87 -54.06 6.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 75.14 112.464 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.641 HD11 ' HG2' ' A' ' 848' ' ' ARG . 3.9 pp -61.76 -30.51 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 70.33 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 852' ' ' GLU . . . . . 0.608 ' N ' HD12 ' A' ' 851' ' ' LEU . 43.9 tp10 -79.42 -44.83 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.875 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 60.51 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 854' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 850' ' ' GLY . 26.3 pt -68.73 -28.02 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.137 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.14 110.903 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 34.8 t80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.886 0.374 . . . . 51.54 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -39.1 59.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.829 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -62.77 -58.29 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 64.33 110.854 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.9 tp -50.65 -48.63 58.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.903 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 772' ' ' ARG . . . . . 0.485 ' O ' HD13 ' A' ' 776' ' ' LEU . 66.0 ttp85 -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.844 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.8 -58.92 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 70.22 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 778' ' ' VAL . 23.5 tp -60.61 -42.17 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 63.13 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.53 -45.61 91.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.93 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 776' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 772' ' ' ARG . 5.0 mp -62.39 -54.45 40.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 75.42 110.909 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.69 -60.09 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 54.02 111.125 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 782' ' ' VAL . 91.2 t -51.53 -58.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 63.12 111.169 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 98.2 m -51.73 -47.82 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.11 111.147 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.27 -55.57 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.01 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.58 -44.32 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.44 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 778' ' ' VAL . 80.7 t -54.71 -42.38 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 60.03 111.149 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.03 110.926 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.769 0.318 . . . . 64.42 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.48 -31.02 67.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.868 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -60.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 72.2 110.954 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -58.79 -47.32 85.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 73.51 110.863 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.5 t -52.06 -61.01 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 44.02 110.879 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -58.48 -33.26 69.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.878 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -49.76 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.921 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.27 -34.98 77.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.927 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -68.04 -58.98 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.899 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -57.15 -44.87 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 65.04 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 27.7 t -63.13 -51.41 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.83 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.7 43.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 63.54 111.081 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.76 -37.33 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 61.22 111.138 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.66 -36.3 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 54.05 110.852 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.61 -43.44 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.91 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.25 -51.55 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 62.53 110.95 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -59.65 -58.66 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 75.11 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.32 49.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.2 m -62.64 -40.6 97.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.51 111.168 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.29 -33.46 74.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.13 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.3 -34.31 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.152 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.2 -25.72 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 31.42 111.13 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.4 111.162 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.24 111.106 179.883 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.803 0.335 . . . . 62.11 111.188 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.04 -43.66 63.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -58.62 -35.72 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.922 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.424 ' HA ' HG12 ' A' ' 832' ' ' VAL . 21.8 t -76.2 -34.81 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.41 111.156 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.6 mm -73.32 -40.47 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.12 111.162 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.84 -42.3 67.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 73.24 110.903 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 829' ' ' VAL . 7.2 p -67.44 -36.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 61.22 111.142 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.14 -54.44 12.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -60.76 -37.9 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.15 -54.54 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.44 111.101 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.63 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.072 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -57.03 -62.18 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 63.12 110.908 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -43.89 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.1 110.904 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.59 -53.17 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -79.6 -10.71 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 70.35 111.12 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -75.79 -43.95 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.868 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.889 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.731 0.3 . . . . 74.23 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -51.96 -32.17 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -63.57 -55.05 27.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 75.41 112.496 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.648 ' O ' HD23 ' A' ' 851' ' ' LEU . 4.8 tt -66.4 -28.61 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 75.12 110.929 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -78.11 -28.6 48.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 70.43 110.897 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -80.82 -35.79 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 71.03 110.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 15.4 pt -91.42 15.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 72.25 111.124 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.02 110.901 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.898 0.38 . . . . 72.1 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.42 110.901 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -61.21 -58.09 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.23 -51.88 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -62.04 -31.61 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.871 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -65.98 -59.19 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.03 110.88 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.01 -48.67 75.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.45 110.926 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.22 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.09 -41.51 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 53.33 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -66.08 -58.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.143 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 782' ' ' VAL . 7.3 p -51.53 -43.95 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.13 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 778' ' ' VAL . 98.8 m -61.7 -52.74 63.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 60.35 111.149 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -50.79 -45.45 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 72.42 110.905 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 43.1 mm -62.91 -45.17 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.51 111.119 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 778' ' ' VAL . 86.0 t -55.63 -40.71 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.161 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 65.14 110.872 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 800' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 800' ' ' LEU . 2.8 tm? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.762 0.315 . . . . 52.52 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.937 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -62.73 -60.18 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.935 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -57.88 -48.06 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 63.41 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.7 t -52.1 -61.05 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 72.44 110.885 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -57.79 -32.82 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 53.2 110.928 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.85 -50.29 74.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.2 -35.15 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 54.25 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.51 -59.44 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -56.95 -44.72 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.4 t -63.19 -51.31 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 62.32 110.895 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.79 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 55.53 111.041 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.81 -37.32 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 65.25 111.129 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 55.03 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.64 -43.52 69.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 65.22 110.906 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.11 -51.63 65.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 52.51 110.956 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -58.73 7.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.906 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.77 -43.24 48.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.074 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.65 -40.82 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 71.43 111.149 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.26 -33.56 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.53 111.059 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.19 -34.36 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.55 111.117 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.16 -25.84 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.15 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.713 HG23 ' HB2' ' A' ' 828' ' ' ARG . 1.4 p -86.62 -26.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 61.04 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.11 111.099 179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.807 0.337 . . . . 65.15 111.14 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 827' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 830' ' ' ILE . 14.5 t70 -51.98 -41.44 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.881 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.713 ' HB2' HG23 ' A' ' 822' ' ' VAL . 13.5 mtp180 -59.31 -56.69 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 73.04 110.875 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 822' ' ' VAL . 60.0 t -54.55 -40.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.41 111.192 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 827' ' ' ASP . 37.0 mt -64.25 -58.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 75.22 111.178 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.97 -37.51 53.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.03 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 828' ' ' ARG . 91.6 t -72.48 -49.33 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 64.52 111.098 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.67 -49.24 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 52.04 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.76 -41.87 71.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.3 110.876 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.91 -52.27 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.122 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -68.18 -50.96 50.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 50.25 111.134 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -52.09 -51.34 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.97 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -66.95 -38.96 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 71.03 110.838 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.17 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.472 ' O ' HD13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -86.44 -26.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 72.13 111.168 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -73.73 -27.56 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.838 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 41.0 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.745 0.307 . . . . 74.31 110.845 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -58.74 -40.33 83.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.94 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.15 -53.88 30.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 31.13 112.508 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.7 -46.06 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 61.11 110.92 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.51 -36.11 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.13 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -65.04 -35.76 82.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.36 15.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.43 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 855' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 855' ' ' LEU . 5.4 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.953 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.868 0.366 . . . . 52.53 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -53.38 -40.36 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.85 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -62.53 -58.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.828 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 56.6 mt -49.89 -50.19 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 62.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.895 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.95 -56.62 15.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.21 110.87 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.833 HD12 HD11 ' A' ' 777' ' ' ILE . 11.6 tp -60.49 -49.2 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.941 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.2 -31.55 70.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 72.2 110.91 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 776' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 777' ' ' ILE . 3.4 tt -69.16 -57.49 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.914 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 777' ' ' ILE . . . . . 0.833 HD11 HD12 ' A' ' 774' ' ' LEU . 22.3 pt -58.02 -34.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 73.33 111.134 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 774' ' ' LEU . 53.1 t -67.94 -63.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.112 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 10.9 t -55.36 -29.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.074 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -69.61 -59.44 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 73.32 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.86 -33.66 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.107 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 778' ' ' VAL . 83.9 t -73.8 -37.99 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 70.13 111.145 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.919 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.752 0.31 . . . . 70.33 110.939 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -59.23 -38.61 80.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 52.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -60.33 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.922 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.944 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 3.7 t -51.85 -61.17 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.21 110.892 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.16 -33.95 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 64.45 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.16 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.898 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.02 -35.52 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 63.41 110.915 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -59.47 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 54.23 110.893 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.18 -44.34 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 28.4 t -63.5 -51.42 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.13 110.843 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.45 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.129 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.0 -37.36 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 64.23 111.111 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.64 -36.31 82.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 62.54 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 814' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 814' ' ' LEU . 0.7 OUTLIER -70.76 -43.38 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.899 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.22 -51.51 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 73.44 110.944 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.86 -43.28 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 61.22 111.098 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.65 -40.72 97.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.53 111.169 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.29 -33.45 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 52.13 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.5 mm -72.24 -34.39 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.15 111.108 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.14 -25.88 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.114 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.147 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.25 111.124 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.328 . . . . 74.34 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -57.02 -37.22 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -64.43 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.46 -46.19 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.572 HG22 ' OE1' ' A' ' 834' ' ' GLN . 51.3 mt -65.68 -34.84 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.7 -49.88 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.922 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -34.45 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.36 -59.21 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.94 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 834' ' ' GLN . . . . . 0.572 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.3 pt20 -62.39 -43.17 99.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 53.1 110.885 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.71 18.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 51.34 111.101 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.29 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 53.21 111.053 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -53.06 -50.68 63.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.935 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -47.86 -57.71 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 839' ' ' ALA . . . . . 0.441 ' HA ' ' CE1' ' A' ' 842' ' ' HIS . . . -52.91 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.04 111.079 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 23.2 mt -51.68 -25.33 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 65.3 111.102 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.33 -55.75 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.833 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 839' ' ' ALA . 6.5 p80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.846 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.741 0.305 . . . . 72.5 110.84 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -52.04 -56.09 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 64.25 110.918 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.64 61.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 75.12 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.11 -44.21 74.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 74.24 110.898 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -83.44 -31.31 26.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.45 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -60.19 -38.61 83.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.64 -30.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.23 111.1 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.941 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.913 0.387 . . . . 75.22 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -53.16 -40.29 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 71.53 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.57 -57.95 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.863 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.06 -49.49 51.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.922 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.1 -31.59 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.851 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -63.62 -56.83 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 60.15 110.874 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -61.81 -45.44 93.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 60.13 110.902 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 779' ' ' THR . 70.3 mt -63.08 -31.22 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 72.24 110.876 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 776' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 777' ' ' ILE . 4.8 tt -70.75 -54.48 11.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 777' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 781' ' ' ILE . 5.9 tp -59.97 -36.67 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.138 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 782' ' ' VAL . 61.3 t -68.73 -63.02 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 72.15 111.123 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 775' ' ' LEU . 7.4 t -55.59 -28.47 55.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.164 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -71.29 -57.71 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 781' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 777' ' ' ILE . 82.8 mt -60.49 -37.54 75.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 72.42 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 778' ' ' VAL . 97.2 t -68.8 -46.33 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.23 111.177 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.858 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.84 0.352 . . . . 74.43 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.11 -33.49 65.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.929 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -60.31 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.94 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -58.84 -46.79 86.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 54.35 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.7 t -52.49 -60.99 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 35.01 110.843 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.25 -33.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 63.14 110.938 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.03 -50.21 74.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.01 -35.6 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -59.85 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.885 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.81 -44.41 81.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.882 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 34.9 t -63.4 -51.72 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.842 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.12 -52.53 42.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 54.21 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.09 -37.18 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 55.13 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -66.82 -35.77 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.91 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.22 -43.3 67.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 70.53 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.48 -50.8 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.932 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -58.15 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 70.15 110.865 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.17 53.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.13 111.091 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 818' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.6 m -63.07 -41.52 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.167 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.48 93.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 62.44 111.095 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.69 -35.6 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.54 111.161 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.55 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.21 111.115 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 828' ' ' ARG . 72.8 t -86.51 -28.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.119 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.085 179.904 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 826' ' ' THR . . . . . 0.452 HG22 HG12 ' A' ' 830' ' ' ILE . 2.9 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.772 0.32 . . . . 72.04 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 827' ' ' ASP . . . . . 0.563 ' HB3' HG13 ' A' ' 822' ' ' VAL . 21.6 t0 -51.65 -37.19 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.861 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.612 ' HB2' HG12 ' A' ' 822' ' ' VAL . 9.0 tpt180 -63.11 -60.2 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.835 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 99.0 t -52.69 -45.52 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.154 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 830' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 826' ' ' THR . 43.2 mm -65.48 -39.83 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.134 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.2 -52.37 65.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.85 -35.46 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 61.02 111.135 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.71 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 834' ' ' GLN . . . . . 0.445 ' OE1' HG22 ' A' ' 830' ' ' ILE . 10.0 pt20 -63.11 -44.75 94.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 43.31 110.88 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.43 -51.99 65.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.088 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.84 98.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 43.12 111.098 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.78 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.919 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -43.12 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 71.33 110.865 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.93 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 54.35 111.117 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.7 tt -71.63 -11.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 71.4 111.184 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -78.94 -33.97 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.86 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.726 0.298 . . . . 71.23 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -53.36 -38.92 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.952 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.67 -45.88 72.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 33.53 112.514 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 851' ' ' LEU . 0.5 OUTLIER -60.19 -42.69 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 74.24 110.943 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.22 -28.92 57.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.816 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -67.72 -44.78 76.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.11 110.882 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 51.4 pt -71.24 -26.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 63.22 111.155 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 63.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.9 0.381 . . . . 60.01 110.944 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -53.69 -40.59 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 65.12 110.876 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.73 -57.85 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.856 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.73 -49.01 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.924 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -66.57 -29.59 69.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.882 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -68.15 -59.01 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.819 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 778' ' ' VAL . 17.5 tp -60.29 -43.74 96.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 62.13 110.902 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 779' ' ' THR . 25.0 tp -62.47 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.913 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 776' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 777' ' ' ILE . 6.5 tt -61.45 -54.26 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.932 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 777' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 776' ' ' LEU . 41.9 mm -55.82 -56.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.142 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 782' ' ' VAL . 87.4 t -51.63 -62.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 779' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 775' ' ' LEU . 69.3 p -51.8 -40.43 60.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.13 111.162 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -58.58 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.0 mm -53.46 -42.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 51.11 111.106 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 778' ' ' VAL . 86.3 t -58.77 -46.73 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.03 111.153 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.9 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 800' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 800' ' ' LEU . 3.1 tm? . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.804 0.335 . . . . 64.14 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -61.72 -37.34 83.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.908 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -60.14 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.942 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -58.67 -47.47 84.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -51.65 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.51 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -58.35 -33.73 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.55 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.28 -50.38 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.82 -35.11 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.52 -59.83 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 64.04 110.886 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.53 -44.8 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.896 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.5 t -63.15 -51.2 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.867 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.22 37.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.088 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.09 -37.91 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 61.53 111.139 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.84 -37.26 85.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.919 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.21 -44.83 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.963 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.73 -53.57 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.878 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -48.3 -42.77 31.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 53.31 111.072 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 53.6 m -60.01 -44.75 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 72.53 111.157 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.583 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.1 -28.35 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.096 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.25 -38.21 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 54.04 111.19 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -81.89 -26.41 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 52.31 111.108 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 827' ' ' ASP . 0.9 OUTLIER -85.41 -26.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 72.31 111.157 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 61.51 111.08 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.773 0.32 . . . . 71.2 111.116 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 827' ' ' ASP . . . . . 0.784 ' HB2' HG22 ' A' ' 822' ' ' VAL . 35.4 t0 -51.58 -33.46 32.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 64.1 110.85 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 832' ' ' VAL . 0.0 OUTLIER -67.01 -58.13 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 64.41 110.858 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.66 -41.74 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 70.2 111.103 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.17 -45.51 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 61.33 111.12 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.28 -37.22 74.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.53 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 832' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 828' ' ' ARG . 93.9 t -74.11 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.07 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.53 -40.67 60.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.8 -55.46 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.909 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.52 -51.86 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 65.12 111.122 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.2 34.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 51.51 111.08 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.97 -58.1 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 62.31 110.933 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -54.92 -39.25 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.862 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.31 -60.58 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 44.4 111.073 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.471 ' O ' HD13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -57.67 -26.26 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.067 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.77 -30.92 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.835 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.856 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.782 0.325 . . . . 72.51 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -51.91 -45.99 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.41 110.924 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.53 -46.18 63.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 54.5 112.504 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 32.7 tp -52.39 -47.6 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 72.44 110.926 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.55 -37.18 57.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 62.3 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -49.81 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 71.2 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.27 -18.18 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 60.23 111.097 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 70.34 110.946 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.916 0.389 . . . . 74.04 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 45.53 110.905 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.07 -57.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 60.13 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -48.52 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.891 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.63 -28.39 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.889 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -53.28 24.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 62.41 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 774' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 778' ' ' VAL . 0.2 OUTLIER -64.7 -44.04 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 54.11 110.923 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -42.27 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 42.04 110.899 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.49 -52.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.84 -57.94 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.104 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 778' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 782' ' ' VAL . 94.1 t -52.57 -60.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 95.5 m -51.51 -47.36 63.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 44.32 111.147 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -51.91 -52.89 46.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.894 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.74 -46.65 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.1 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 782' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 778' ' ' VAL . 98.3 t -50.83 -40.51 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 71.32 111.131 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 70.15 110.871 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.769 0.319 . . . . 73.35 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.12 -34.55 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.902 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -55.77 -48.74 74.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 72.12 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.9 t -51.59 -61.13 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 62.03 110.847 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.02 -28.27 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.53 110.952 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -37.88 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.906 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.78 -39.44 64.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 808' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 812' ' ' VAL . 1.0 OUTLIER -73.92 -38.74 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 60.41 110.854 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.76 -44.48 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 55.22 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 17.0 t -68.99 -45.84 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 53.12 110.881 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 74.44 111.099 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 808' ' ' LYS . 92.4 t -65.52 -38.21 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 73.2 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -66.42 -35.31 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.905 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.7 tp -71.61 -44.02 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 41.23 110.905 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.09 -51.15 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 61.31 110.936 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -60.27 -58.55 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.886 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.93 -43.01 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.04 111.141 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.86 -40.82 98.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.02 111.181 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.11 -33.51 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.45 111.079 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.29 -34.39 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 63.45 111.158 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.73 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.063 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.64 -26.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.119 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.135 179.842 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.817 0.341 . . . . 72.35 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -51.73 -35.28 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 53.54 110.857 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -64.92 -58.3 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.31 -39.26 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.12 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.2 mm -70.69 -35.43 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 73.35 111.14 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -68.02 -44.25 76.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 63.52 110.876 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.54 -39.5 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.32 111.103 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.5 tp -71.38 -42.95 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.04 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -65.29 -50.03 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.53 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.9 -50.43 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.148 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.6 -56.87 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 837' ' ' TYR . . . . . 0.495 ' HA ' HD12 ' A' ' 840' ' ' ILE . 12.5 t80 -58.03 -38.91 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.958 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -54.35 47.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 72.11 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.3 96.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 64.24 111.102 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 837' ' ' TYR . 19.3 mt -62.1 -37.17 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.44 111.078 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -80.87 -27.42 36.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.927 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.855 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.74 0.305 . . . . 52.41 110.851 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -52.54 -39.56 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.53 110.924 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.22 -50.02 29.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 21.52 112.479 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 851' ' ' LEU . 0.5 OUTLIER -55.49 -37.65 68.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 50.32 110.897 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -82.92 -29.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.14 110.869 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -63.6 -47.93 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.21 110.887 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.9 -25.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.161 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 65.12 110.884 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.877 0.37 . . . . 54.21 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -51.48 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 44.54 110.937 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -56.72 -30.74 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 61.41 111.109 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 755' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 755' ' ' LEU . 3.2 tm? -72.23 -51.81 19.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.96 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 47.9 mm -60.36 -39.61 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 63.1 111.12 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -69.04 -52.46 28.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.933 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.36 -41.57 69.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 70.44 110.862 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.38 -55.94 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 64.1 110.83 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -48.55 64.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.896 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -60.69 -54.89 39.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.91 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 5.5 t -52.78 -50.29 63.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 54.04 110.884 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.81 -31.95 73.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 62.22 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 33.7 t -63.9 -63.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.864 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 765' ' ' LEU . 4.2 tt -59.55 -41.08 89.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.93 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -62.66 -48.71 78.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 51.03 110.858 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.6 t -58.74 -50.18 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.862 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -57.24 -60.84 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.925 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.81 -38.26 64.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 52.44 110.826 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -64.21 -57.99 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.24 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 19.7 mt -50.85 -47.66 60.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -69.2 -28.8 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 55.33 110.849 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -69.02 -56.91 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 778' ' ' VAL . 69.0 mt -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 779' ' ' THR . 30.0 mt -63.0 -46.26 88.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.902 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.47 -50.85 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 70.32 110.928 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.3 mt -55.32 -58.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.093 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 782' ' ' VAL . 98.1 t -52.13 -58.61 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 54.43 111.137 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 775' ' ' LEU . 46.5 p -51.71 -49.2 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 71.53 111.144 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -52.17 -53.1 47.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.35 -36.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.03 111.128 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 778' ' ' VAL . 73.7 t -62.38 -45.17 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 63.54 111.133 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -74.24 -28.92 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.885 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.31 -26.02 46.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.917 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.656 ' O ' HD13 ' A' ' 785' ' ' LEU . 3.3 tm? -91.3 -33.08 15.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.901 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.28 -27.97 25.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 53.22 112.478 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -52.37 -53.86 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 71.11 110.914 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -89.78 -35.32 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -60.22 -19.57 52.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 74.11 112.479 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -52.05 -50.82 60.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 73.55 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.04 -54.73 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.64 -52.94 43.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 71.23 111.102 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.88 -51.56 55.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -55.75 -41.91 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.897 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -59.88 -52.79 63.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 71.3 110.947 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -56.18 -46.08 79.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.871 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -63.41 -53.42 52.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 72.51 110.891 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -55.56 -56.5 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 64.23 110.875 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.709 HD23 ' HE1' ' A' ' 803' ' ' TRP . 2.5 mp -57.39 -41.84 81.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.14 110.947 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.21 -59.47 4.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 52.14 110.959 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -63.88 -33.74 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.32 -58.54 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 63.54 110.932 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.709 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.6 m95 -59.94 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.909 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.9 t -51.96 -61.3 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.11 110.858 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.41 -32.21 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.916 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -62.89 -48.78 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.26 -34.87 75.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 812' ' ' VAL . 34.0 ttpt -69.14 -57.77 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.927 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.88 -45.09 86.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.871 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 14.9 t -63.16 -51.09 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 74.15 110.915 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.43 47.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 65.43 111.099 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 808' ' ' LYS . 58.7 t -63.06 -37.22 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 71.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.87 -35.89 81.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.86 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.13 -43.18 68.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.922 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.55 -50.83 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -60.63 -58.23 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 55.01 110.864 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.33 -43.25 53.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 55.33 111.127 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.9 m -63.04 -41.18 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.35 111.152 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 61.53 111.076 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.59 -35.6 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 61.41 111.138 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.1 -28.11 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 42.12 111.092 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 818' ' ' THR . 69.9 t -86.51 -25.78 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 65.3 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.47 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 62.15 111.102 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -75.95 -5.98 48.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 64.11 110.881 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -144.43 117.07 1.0 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 72.52 112.535 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 6.6 m -74.22 -17.48 60.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 75.41 111.151 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.1 -45.58 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.893 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 832' ' ' VAL . 18.3 tpp180 -55.33 -54.4 44.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.45 -41.46 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 54.41 111.119 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.33 -51.14 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 63.14 111.148 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 64.15 110.893 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 828' ' ' ARG . 71.3 t -71.9 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 73.11 111.13 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.74 -44.66 63.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.872 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.49 -54.7 28.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.33 110.885 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.27 -55.26 29.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 71.15 111.124 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -53.77 -60.07 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.082 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -54.36 -32.72 57.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 64.3 110.903 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -52.39 60.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.86 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.01 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.01 111.099 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 40.4 mm -73.26 -36.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -69.47 -48.06 61.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.91 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -74.98 -31.18 61.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 61.45 110.865 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 54.0 mt -144.97 80.94 10.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.726 . . . . 64.14 111.119 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 111.31 2.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 71.11 112.348 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -151.65 86.43 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.85 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -149.54 50.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 60.01 110.91 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 9.0 tp -82.95 -31.74 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 72.43 111.175 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -58.48 -26.35 63.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.862 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -52.06 -43.73 63.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.936 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.1 -49.14 49.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.04 112.531 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 37.8 tp -51.97 -46.88 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 52.53 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 852' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 856' ' ' LEU . 25.1 pt-20 -74.05 -33.75 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.895 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -63.3 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.87 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -92.98 15.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.21 111.173 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp -109.09 -53.31 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.565 HD23 ' H ' ' A' ' 856' ' ' LEU . 2.6 pt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 73.33 110.911 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.875 0.369 . . . . 70.51 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 753' ' ' LEU . . . . . 0.906 HD12 HD11 ' A' ' 756' ' ' ILE . 12.6 tp -52.08 -46.53 65.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 62.33 110.875 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.97 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 64.42 111.071 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 755' ' ' LEU . . . . . 0.492 ' C ' HD13 ' A' ' 755' ' ' LEU . 3.1 tm? -71.26 -54.64 10.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 61.03 110.912 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 756' ' ' ILE . . . . . 0.906 HD11 HD12 ' A' ' 753' ' ' LEU . 19.9 pt -59.91 -35.34 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.4 111.147 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.38 -46.89 59.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.915 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -60.38 -38.12 82.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 71.24 110.913 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.88 -55.44 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.876 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -47.85 64.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 74.03 110.922 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -65.3 -50.42 65.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 24.6 t -52.26 -49.97 63.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 60.51 110.855 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.08 -40.31 94.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.936 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.67 -62.09 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 61.33 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 61.7 mt -55.72 -51.7 66.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.895 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -54.87 -50.59 68.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 72.04 110.908 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 36.6 m -57.33 -39.44 75.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.82 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.76 -59.69 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.93 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.97 -39.71 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 73.21 110.857 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -64.55 -58.06 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 61.03 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.84 -47.39 60.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.03 110.919 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -69.67 -28.76 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.76 -57.28 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.915 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -64.85 -41.01 96.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.872 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 779' ' ' THR . 31.0 tp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 53.03 110.946 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.09 -51.77 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.4 110.936 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.2 mt -54.23 -57.49 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.151 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 782' ' ' VAL . 98.0 t -53.69 -56.96 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 61.11 111.147 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 775' ' ' LEU . 43.2 p -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.24 111.077 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -62.53 -51.93 65.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 70.32 110.853 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.15 -40.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 778' ' ' VAL . 60.0 t -64.17 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.154 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -72.92 -47.45 45.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 63.32 110.912 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.1 tp -62.95 -44.88 94.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 64.13 110.913 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.12 -25.51 55.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 62.24 110.91 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.52 -30.04 33.19 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 71.24 112.438 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -60.45 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 73.31 110.879 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -95.32 11.43 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 63.21 110.87 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -68.53 -19.79 73.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 62.24 112.528 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -52.33 -49.28 64.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.71 0.29 . . . . 73.25 110.887 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.23 -57.85 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 74.02 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.61 -52.11 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 74.25 111.084 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 47.9 mt -51.5 -56.71 11.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 63.13 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -43.23 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.878 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -57.42 -56.74 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 64.2 110.907 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 796' ' ' TRP . . . . . 0.53 ' O ' HD23 ' A' ' 800' ' ' LEU . 32.5 m95 -52.11 -44.82 64.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 74.01 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -63.83 -55.29 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.933 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.52 -56.36 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.877 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.452 HD23 ' HE1' ' A' ' 803' ' ' TRP . 0.2 OUTLIER -52.07 -49.45 63.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 65.11 110.929 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 796' ' ' TRP . 1.9 mm? -51.85 -57.44 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 64.31 110.939 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -58.18 -33.13 68.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.51 110.899 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -60.07 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 72.22 110.896 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.452 ' HE1' HD23 ' A' ' 799' ' ' LEU . 23.9 m95 -58.13 -46.85 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 61.22 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -52.11 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 63.05 110.899 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -58.35 -33.86 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.22 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.17 74.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.884 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.86 -35.87 79.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 65.42 110.885 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -66.84 -59.94 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 52.51 110.897 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.55 -44.5 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 72.33 110.844 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.2 t -63.49 -51.18 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 61.11 110.86 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.32 -52.79 42.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 35.3 111.139 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.84 -37.32 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.15 111.092 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.74 -35.85 81.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 70.42 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 814' ' ' LEU . 4.2 tt -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.898 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.43 -50.88 68.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.937 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.57 -58.24 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.54 110.922 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.28 -43.12 53.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 60.34 111.07 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.8 m -63.05 -41.57 99.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 65.33 111.116 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.53 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.072 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.7 -35.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 52.1 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.31 45.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 53.44 111.082 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 818' ' ' THR . 72.5 t -86.48 -31.38 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 71.23 111.118 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -64.41 -22.75 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 60.41 111.109 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -93.41 17.2 11.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.914 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 825' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 829' ' ' VAL . . . -147.85 130.09 3.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 75.21 112.515 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 826' ' ' THR . . . . . 0.479 HG22 HD11 ' A' ' 830' ' ' ILE . 0.2 OUTLIER -72.75 -54.89 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 74.01 111.177 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -53.62 -32.82 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.24 110.909 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 832' ' ' VAL . 59.2 mtt180 -67.23 -55.81 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.83 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 822' ' ' VAL . 98.3 t -56.85 -41.04 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.23 111.112 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 826' ' ' THR . 17.9 mt -67.6 -47.98 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.128 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.12 -35.9 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 828' ' ' ARG . 86.1 t -75.43 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.141 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.7 tp -51.66 -37.12 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.922 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.77 -55.97 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.91 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.07 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.1 111.125 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -70.53 -53.85 14.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.51 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -52.16 -50.38 61.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.13 110.909 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -65.3 -46.05 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 75.35 110.852 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.9 -53.19 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 72.21 111.092 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 15.6 tt -70.94 -30.55 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.23 111.129 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.24 -26.33 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 45.41 110.862 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -94.59 -32.0 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.834 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.497 HG22 ' CG ' ' A' ' 845' ' ' ARG . 54.1 mt -143.64 77.54 15.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 70.23 111.12 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 94.44 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 62.33 112.325 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 845' ' ' ARG . . . . . 0.497 ' CG ' HG22 ' A' ' 843' ' ' ILE . 5.3 ptm180 -177.85 103.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.34 110.821 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -175.17 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.855 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 30.6 pt -77.86 -25.29 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 72.15 111.129 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -55.75 -63.01 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 71.43 110.847 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -36.36 51.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.52 -53.96 28.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 74.54 112.495 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.84 -39.08 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 70.53 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -74.29 -31.13 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.836 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -69.4 -39.98 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.851 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 25.7 pt -92.29 15.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 72.03 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 855' ' ' LEU . 5.1 tp -106.07 -39.55 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.55 110.949 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 71.2 110.903 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.899 0.381 . . . . 62.42 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 62.6 mt -52.16 -43.61 64.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 74.32 110.909 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -56.77 -56.03 26.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 70.43 111.099 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.8 -53.74 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 51.5 110.903 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 46.3 mm -55.36 -48.08 77.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 71.21 111.116 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -59.03 -43.53 91.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.909 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -59.66 -48.79 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.871 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.78 -35.93 82.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.864 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -59.86 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.891 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 -61.49 -33.66 74.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 64.03 110.883 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 2.2 t -63.12 -56.4 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.02 110.879 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.36 -46.86 88.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.924 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.3 t -59.91 -41.24 91.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 72.54 110.876 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.51 -47.96 74.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.911 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.1 -52.59 65.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.868 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 20.8 m -61.16 -55.79 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.879 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -53.52 -43.25 68.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 74.53 110.945 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.68 -47.85 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.829 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.96 -57.99 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.34 110.849 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.2 mp -49.45 -52.34 29.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 64.3 110.922 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -61.63 -33.46 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -58.14 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.897 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -59.1 -41.93 89.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 775' ' ' LEU . 0.3 OUTLIER -62.2 -35.53 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.874 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 776' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 776' ' ' LEU . 0.7 OUTLIER -69.29 -59.6 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 61.41 110.914 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 777' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 778' ' ' VAL . 4.7 tp -52.12 -43.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.05 111.137 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 782' ' ' VAL . 65.9 t -63.93 -63.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.112 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.3 m -51.52 -34.34 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 75.13 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -58.02 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.888 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.3 mm -57.92 -30.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.119 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 778' ' ' VAL . 95.3 t -68.3 -55.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 62.32 111.134 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -62.67 -31.0 71.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.78 -31.64 46.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 75.11 110.905 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 24.7 tp -83.03 -23.98 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.908 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -84.58 -39.56 8.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 61.54 112.467 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -26.1 64.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 74.34 110.865 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -52.16 -37.16 53.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -58.38 -41.03 94.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 62.02 112.475 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -72.57 -58.17 3.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.718 0.294 . . . . 74.25 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -52.8 -56.62 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 71.42 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.85 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.053 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.76 -57.23 8.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 61.24 110.91 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -43.4 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 62.02 110.919 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.48 -57.7 11.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.903 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -50.86 -47.67 60.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 65.45 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -61.84 -57.57 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 71.42 110.912 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -51.86 -56.03 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 61.21 110.845 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 6.9 mt -52.31 -45.62 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.925 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.41 -59.4 4.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.874 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.55 -35.48 76.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 55.04 110.921 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -62.54 -60.25 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.888 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -56.03 -49.38 73.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -61.09 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.85 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 53.11 110.934 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -50.14 73.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 72.04 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.33 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.15 110.985 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -68.05 -58.88 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.94 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.22 -44.73 83.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 48.2 t -63.34 -51.2 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 72.55 110.851 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.62 44.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 60.32 111.086 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.0 -37.25 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.03 111.162 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.78 -35.76 80.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 74.2 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.25 -43.27 67.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 72.44 110.923 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.45 -50.88 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 60.14 110.964 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.75 -58.18 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.45 110.877 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.04 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 822' ' ' VAL . 47.0 m -63.07 -42.02 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 50.12 111.16 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.05 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 33.02 111.092 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -67.86 -36.39 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 72.42 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.05 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 74.13 111.061 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.632 HG13 ' HG2' ' A' ' 828' ' ' ARG . 78.2 t -86.4 -26.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 61.54 111.15 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -85.49 -21.9 28.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.122 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.34 -6.11 54.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.899 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -134.01 135.39 7.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 62.45 112.544 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.1 m -83.84 -17.47 40.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 61.11 111.14 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -52.09 -46.52 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.923 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.632 ' HG2' HG13 ' A' ' 822' ' ' VAL . 10.5 tpt180 -59.7 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.35 110.846 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.3 -61.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.185 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.75 -31.82 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.33 111.141 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -62.79 -45.15 94.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.24 -39.24 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.42 111.122 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 833' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 833' ' ' LEU . 0.6 OUTLIER -63.47 -46.46 86.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 62.01 110.877 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -73.07 -33.61 65.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.61 -49.43 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 55.22 111.113 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.78 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 43.44 111.049 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.2 -52.05 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.95 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -64.42 -42.66 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.872 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.11 -58.11 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 31.35 111.116 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.5 tp -66.99 -30.64 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 60.45 111.135 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -68.46 -29.38 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.54 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -90.01 -31.96 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.849 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 6.1 pt -140.27 73.11 31.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.597 0.713 . . . . 73.11 111.148 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 107.79 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.748 2.299 . . . . 71.55 112.344 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -173.9 32.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.863 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -174.06 84.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 44.3 mm -82.93 -30.41 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 73.43 111.176 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -55.76 -26.09 44.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -51.96 -49.52 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.886 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.38 -42.86 81.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 73.31 112.506 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 57.6 mt -52.84 -48.76 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 65.12 110.933 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.42 -29.51 47.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.883 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -60.95 -38.96 87.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.31 110.86 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.2 15.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.128 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp -109.02 -56.5 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.904 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 71.1 110.861 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.9 0.381 . . . . 50.51 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 753' ' ' LEU . . . . . 0.849 HD13 HD11 ' A' ' 756' ' ' ILE . 4.5 mm? -52.38 -46.07 66.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 51.4 110.909 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.82 -33.28 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.43 111.136 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 12.2 tp -69.57 -54.8 12.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.9 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 756' ' ' ILE . . . . . 0.849 HD11 HD13 ' A' ' 753' ' ' LEU . 18.4 pt -59.97 -36.33 66.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.107 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -67.91 -51.32 49.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.913 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -56.22 -45.06 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.866 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -62.93 -51.95 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.75 -46.63 64.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -68.66 -34.39 75.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.82 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 5.3 p -63.09 -43.89 97.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.86 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 763' ' ' LEU . 4.3 mm? -72.87 -46.58 52.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 64.31 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 17.1 t -60.34 -45.89 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.89 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.06 -51.71 43.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.927 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -56.71 -48.27 78.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 8.4 t -61.25 -58.35 8.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 73.35 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -53.69 -59.15 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.905 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -52.16 -38.62 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.03 110.88 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -65.65 -56.54 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 70.54 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 52.0 mt -49.98 -49.56 50.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 53.41 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -67.37 -32.31 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.42 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -63.68 -58.82 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 778' ' ' VAL . 25.8 tp -61.45 -44.96 96.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 64.24 110.925 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 779' ' ' THR . 9.0 tp -62.14 -32.24 72.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.933 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.64 -58.6 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.34 110.899 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 777' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 781' ' ' ILE . 5.2 tp -54.34 -40.61 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 64.15 111.102 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 782' ' ' VAL . 78.0 t -65.93 -58.1 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 775' ' ' LEU . 39.9 p -55.29 -33.89 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.135 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -58.0 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.847 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 781' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 777' ' ' ILE . 39.3 mt -54.34 -37.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.097 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 778' ' ' VAL . 94.2 t -66.72 -55.36 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 64.5 111.117 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -57.87 -38.94 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 61.41 110.856 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.9 tp -71.13 -35.41 71.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.915 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 24.1 tp -76.75 -24.5 52.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.884 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -55.61 -24.89 41.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.774 -0.727 . . . . 70.2 112.454 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -74.8 -49.05 22.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 55.32 110.921 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -60.45 -49.28 78.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -59.98 -19.76 51.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 75.13 112.49 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -56.74 -58.36 8.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 55.22 110.907 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.08 -57.6 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.902 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.36 -53.44 36.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 62.2 111.104 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.84 -53.15 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.932 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -53.65 -42.04 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 70.12 110.92 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.11 -54.1 49.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.894 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' TRP . . . . . 0.502 ' O ' HD23 ' A' ' 800' ' ' LEU . 39.6 m95 -53.83 -45.96 71.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.891 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -64.77 -57.18 9.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 62.31 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -51.46 -52.33 47.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 70.31 110.879 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.534 HD23 ' HE1' ' A' ' 803' ' ' TRP . 3.8 mp -57.83 -46.49 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.908 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 796' ' ' TRP . 1.3 mm? -52.48 -59.58 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.944 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.85 -37.13 83.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 64.45 110.966 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.61 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 75.04 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.534 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.0 m95 -56.63 -47.47 79.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.958 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.7 t -50.9 -61.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 62.33 110.882 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 63.01 110.91 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.99 -45.97 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.89 -35.97 69.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.904 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.471 ' O ' HG23 ' A' ' 812' ' ' VAL . 23.7 ttpp -71.61 -52.69 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.935 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.69 -45.47 94.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.858 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 20.6 t -64.15 -50.38 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.833 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.92 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 74.1 111.087 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 808' ' ' LYS . 64.3 t -63.6 -37.41 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 74.23 111.159 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -66.81 -35.63 80.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.911 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.33 -43.38 67.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 53.52 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.45 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.932 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.78 -58.18 9.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 62.13 110.903 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.2 53.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 52.04 111.085 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.5 m -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.22 111.15 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.19 93.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 70.24 111.074 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.94 -35.48 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 54.51 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.27 -27.66 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 70.03 111.098 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 818' ' ' THR . 73.3 t -86.53 -27.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 73.25 111.153 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -83.04 -11.53 57.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 71.14 111.037 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -82.17 -5.06 58.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.823 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.13 -55.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 73.23 112.508 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' THR . . . . . 0.473 HG22 HG13 ' A' ' 830' ' ' ILE . 2.4 m -61.88 -17.47 56.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 74.4 111.189 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.89 -36.05 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.901 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -64.38 -60.17 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.5 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.41 -46.19 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.153 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.576 HG22 ' OE1' ' A' ' 834' ' ' GLN . 63.5 mt -65.88 -34.02 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.132 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.33 -49.72 70.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.09 -34.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 833' ' ' LEU . 13.3 tp -62.64 -58.67 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 834' ' ' GLN . . . . . 0.576 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.9 pt20 -63.04 -41.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.877 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.9 -55.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 64.22 111.105 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.72 -54.67 38.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.14 111.092 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 840' ' ' ILE . 11.9 t80 -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.91 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -56.69 -53.04 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.895 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 53.44 111.102 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 837' ' ' TYR . 19.9 mt -59.33 -37.15 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.54 111.123 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -83.11 -26.18 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 54.3 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -32.16 63.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.846 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 843' ' ' ILE . 5.9 tt -144.97 86.04 7.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 64.13 111.122 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -34.46 14.57 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.744 2.296 . . . . 74.02 112.323 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -161.23 -62.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 72.35 110.825 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -156.04 54.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.832 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 12.5 tt -82.96 -25.24 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.43 111.146 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 24.9 ttp85 -52.08 -45.9 64.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.835 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -52.23 -52.0 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.911 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.72 -43.99 82.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 61.44 112.495 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' A' ' 855' ' ' LEU . 0.4 OUTLIER -51.69 -49.06 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 65.11 110.908 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -78.19 -34.63 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.864 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -52.39 -49.82 63.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.845 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 39.2 pt -76.9 -20.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 73.04 111.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.441 HD12 ' CD1' ' A' ' 851' ' ' LEU . 9.6 mt -93.92 18.65 10.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 64.42 110.877 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 70.53 110.906 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.948 0.404 . . . . 74.42 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 753' ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' ' 753' ' ' LEU . 6.1 mp -52.05 -46.09 64.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.55 73.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 72.03 111.083 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.64 -54.74 10.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.9 -35.41 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 64.33 111.173 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -70.83 -46.66 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 74.11 110.888 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -60.57 -39.28 87.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.14 110.853 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.64 -54.78 12.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 64.44 110.865 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -50.23 64.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 53.41 110.932 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -63.46 -45.8 89.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.841 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 11.4 t -58.44 -44.29 89.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 45.45 110.899 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.5 -61.45 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 64.45 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.48 -55.14 24.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.73 -45.47 70.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.864 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.22 -44.2 92.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.3 110.842 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 14.5 t -62.28 -58.55 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.852 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -55.62 -55.81 27.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 64.43 110.927 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -43.62 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 74.53 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -60.79 -57.92 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.83 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.12 -52.01 38.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -61.43 -32.19 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.53 110.844 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -66.06 -59.11 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.32 110.923 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.6 mm? -55.21 -46.74 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.94 -51.65 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.925 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 776' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 776' ' ' LEU . 0.6 OUTLIER -53.98 -47.81 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.91 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.59 -39.16 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.44 111.138 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 774' ' ' LEU . 94.0 t -62.56 -62.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 74.22 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 6.3 t -54.12 -37.85 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 70.03 111.19 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -60.9 -56.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.829 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 32.4 mt -57.14 -40.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 71.52 111.128 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 778' ' ' VAL . 64.3 t -60.08 -46.53 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 54.25 111.136 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -71.77 -33.87 68.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 61.42 110.862 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -28.95 65.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.909 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.459 HD12 ' HD3' ' A' ' 788' ' ' ARG . 19.7 tp -85.0 -29.99 24.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -75.92 -17.89 79.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 52.44 112.493 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -85.9 -28.84 24.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 65.14 110.842 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' ARG . . . . . 0.459 ' HD3' HD12 ' A' ' 785' ' ' LEU . 6.6 ptm180 -90.87 11.54 22.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.907 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.58 -28.4 29.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 63.32 112.5 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -52.0 -41.43 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.751 0.31 . . . . 52.15 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -52.54 -53.42 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.827 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.69 -52.73 46.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 72.35 111.079 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.49 -52.52 54.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 72.22 110.912 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -54.26 -42.35 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 61.23 110.935 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.1 -53.87 52.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.923 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -54.57 -45.13 73.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -64.49 -54.59 29.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 73.12 110.961 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.75 -55.29 31.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.888 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.681 HD23 ' HE1' ' A' ' 803' ' ' TRP . 2.9 mp -57.99 -43.42 86.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.919 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.2 mt -54.5 -59.42 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.931 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.15 -59.93 4.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.929 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.681 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.5 m95 -58.92 -47.42 85.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 75.11 110.913 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.89 -61.16 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.12 110.848 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 74.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.47 -50.75 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.867 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.7 -35.5 78.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.51 -60.02 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.05 110.854 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -56.78 -44.29 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.3 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 16.1 t -63.51 -51.58 64.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.811 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.27 -52.68 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.24 111.125 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.79 -37.32 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.1 111.156 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.67 -36.23 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.6 tp -70.62 -43.55 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.931 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.14 -51.53 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 53.11 110.959 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -59.65 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.903 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.9 -43.29 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 75.13 111.097 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.8 m -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 42.21 111.119 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.564 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.33 -33.41 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 63.15 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.22 -34.43 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.136 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.07 -25.89 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 52.13 111.126 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.612 HG22 ' CB ' ' A' ' 827' ' ' ASP . 1.4 p -86.6 -26.35 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.14 111.107 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -65.24 -24.46 67.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 55.41 111.075 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -75.98 -5.99 48.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 45.44 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -107.81 -151.32 16.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 62.14 112.467 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.0 m -83.14 -17.48 42.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 42.42 111.145 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.612 ' CB ' HG22 ' A' ' 822' ' ' VAL . 13.7 t70 -52.95 -35.96 59.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 45.3 110.895 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 832' ' ' VAL . 5.3 tmm_? -64.55 -60.05 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.878 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.66 -39.96 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 70.13 111.143 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 54.8 mt -69.06 -55.92 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 53.11 111.165 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -51.9 -39.68 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 828' ' ' ARG . 88.9 t -69.91 -50.21 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 70.32 111.154 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.85 -53.94 34.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.893 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.09 -40.57 94.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 45.11 110.889 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.47 -52.66 64.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 70.3 111.08 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.21 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.31 111.078 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -61.23 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 63.44 110.907 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -49.59 -48.59 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 63.02 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.19 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.12 111.13 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.563 ' O ' HG22 ' A' ' 843' ' ' ILE . 19.4 tt -64.96 -14.84 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.25 111.086 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -74.1 -50.43 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.01 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.79 5.02 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 840' ' ' ILE . 10.5 tt -49.39 131.62 18.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 71.44 111.118 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -171.0 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 70.44 112.385 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -133.24 43.68 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 73.24 110.897 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -177.91 -45.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 63.42 110.884 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.95 -25.27 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 65.34 111.139 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -52.14 -38.84 58.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.859 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.95 -49.38 63.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 55.2 110.924 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.13 -46.23 88.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 43.43 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.79 -42.37 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 70.11 110.9 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -80.37 -28.55 37.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 64.34 110.904 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -66.77 -34.24 77.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.31 110.868 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.2 pt -92.28 15.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 71.11 111.131 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 855' ' ' LEU . 5.3 tp -108.66 -35.54 6.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.872 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.405 ' C ' HD12 ' A' ' 856' ' ' LEU . 3.8 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 53.52 110.903 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.932 0.396 . . . . 54.12 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.95 -32.54 33.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 73.34 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -65.83 -53.08 44.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 64.42 111.147 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 14.7 mt -58.92 -44.68 91.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.946 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.27 -46.9 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 64.31 111.123 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -57.95 -53.22 60.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.947 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -55.34 -49.05 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.884 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.95 -49.57 77.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 53.24 110.94 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.85 -59.89 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.874 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -55.49 -50.89 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 70.43 110.906 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 30.2 t -52.39 -47.16 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 53.12 110.806 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 12.7 tp -62.88 -40.2 96.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 71.22 110.945 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.28 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 53.42 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 4.1 tp -55.89 -51.27 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 54.4 110.908 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -54.24 -52.65 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.33 110.887 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 15.0 t -59.48 -33.38 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 54.23 110.845 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.0 -60.1 3.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.871 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -58.55 -42.46 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -63.6 -57.77 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 64.21 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 26.5 tp -50.89 -49.88 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.55 -28.08 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.52 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.7 -54.68 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 72.13 110.845 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 778' ' ' VAL . 9.4 mp -64.44 -44.08 92.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 72.41 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 775' ' ' LEU . 0.4 OUTLIER -61.47 -44.95 96.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 71.05 110.924 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.95 -52.58 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 55.42 110.936 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 22.3 mt -53.93 -55.94 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 782' ' ' VAL . 93.5 t -52.74 -57.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.15 111.129 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.407 HG23 HD13 ' A' ' 775' ' ' LEU . 19.5 p -53.96 -40.36 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.134 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -59.32 -50.43 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.876 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.1 -37.78 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.35 111.08 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 778' ' ' VAL . 89.7 t -65.61 -37.7 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.152 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -74.27 -46.34 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.32 110.88 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.61 -43.13 99.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 71.42 110.934 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 29.6 tp -77.3 -26.25 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.886 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.98 -27.87 31.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 65.23 112.475 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -76.73 -35.42 57.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 65.32 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -85.27 1.14 49.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.894 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -54.59 -25.65 36.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 60.12 112.461 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -52.1 -43.96 64.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.742 0.306 . . . . 54.5 110.9 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.18 -57.78 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 61.25 110.876 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.69 -53.27 40.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 62.12 111.099 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 76.3 mt -51.65 -54.89 23.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 65.01 110.939 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -43.05 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.86 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -59.25 -51.43 69.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 73.12 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -56.06 -44.14 78.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -66.21 -56.63 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -51.66 -52.83 44.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 73.12 110.951 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.654 HD23 ' HE1' ' A' ' 803' ' ' TRP . 3.3 mp -59.24 -43.26 92.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 70.24 110.926 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.46 -59.22 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.936 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.83 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 62.34 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.37 -59.32 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.94 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.654 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.3 m95 -59.42 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 64.11 110.902 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.2 t -51.89 -61.36 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 71.45 110.865 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -61.29 -32.46 72.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -62.79 -48.76 77.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.887 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -69.1 -58.23 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.863 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -56.7 -45.04 82.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.9 t -64.06 -49.52 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 63.51 110.887 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.62 -53.48 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 60.4 111.124 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 815' ' ' LEU . 48.4 t -62.97 -38.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 73.4 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.4 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 55.24 110.927 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.67 -47.1 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 815' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 812' ' ' VAL . 0.5 OUTLIER -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.909 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -68.73 -60.65 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.4 110.898 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.8 61.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.088 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 97.7 m -64.45 -41.37 96.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 73.23 111.116 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -66.41 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 52.3 111.135 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 44.8 mm -72.36 -34.91 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 75.43 111.143 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -83.75 -25.63 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.51 111.103 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.3 p -86.72 -26.59 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.118 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -77.88 -25.13 48.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 62.23 111.106 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -95.43 17.19 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 72.14 110.866 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -52.42 -80.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 75.24 112.533 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.7 t -62.18 -17.5 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.778 0.323 . . . . 74.12 111.113 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.09 -34.77 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 70.21 110.869 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.658 ' O ' HG23 ' A' ' 832' ' ' VAL . 22.5 mmt180 -65.55 -56.97 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.896 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.0 -44.9 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.166 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.28 -47.95 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.13 111.148 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -57.91 -36.42 72.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 65.54 110.939 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 828' ' ' ARG . 90.7 t -75.55 -60.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.04 111.092 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 833' ' ' LEU . . . . . 0.597 ' O ' HD13 ' A' ' 833' ' ' LEU . 0.6 OUTLIER -51.59 -37.81 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.923 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 834' ' ' GLN . . . . . 0.426 ' NE2' ' HE ' ' A' ' 838' ' ' ARG . 3.6 tp60 -73.23 -55.61 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 51.23 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.55 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.13 111.137 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' ALA . . . . . 0.431 ' HB1' ' NH1' ' A' ' 853' ' ' ARG . . . -69.42 -52.79 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 44.13 111.072 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -52.11 -52.54 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 72.31 110.939 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.426 ' HE ' ' NE2' ' A' ' 834' ' ' GLN . 47.4 mtt-85 -64.01 -44.71 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 64.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -52.85 -57.68 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.7 tp -66.97 -30.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 -69.09 -27.89 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.863 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -91.07 -32.0 16.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 73.45 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.3 pt -140.77 74.33 27.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 72.14 111.138 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 91.65 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.274 . . . . 53.01 112.332 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -152.37 26.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 70.41 110.845 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.17 87.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 70.4 110.877 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 33.3 mt -83.01 -24.48 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 62.14 111.16 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -52.06 -30.05 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 53.21 110.866 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -51.98 -43.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.69 -53.54 30.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.501 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.16 -40.55 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.326 . . . . 70.21 110.879 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.13 -33.07 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 65.14 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 853' ' ' ARG . . . . . 0.431 ' NH1' ' HB1' ' A' ' 836' ' ' ALA . 28.0 mtp180 -62.03 -44.99 95.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 63.54 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.6 -35.8 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 74.41 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -62.3 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 65.55 110.93 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.874 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.918 0.39 . . . . 73.34 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.9 -50.89 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.949 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.54 65.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 61.42 111.127 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 755' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 755' ' ' LEU . 3.1 tm? -71.25 -51.56 23.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.946 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 51.2 mm -59.3 -39.7 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 74.13 111.144 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -68.55 -53.36 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 72.3 110.926 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.48 -42.41 67.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 54.22 110.873 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.3 -55.19 17.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 55.5 110.813 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -53.13 48.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 65.35 110.905 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -57.44 -53.94 52.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.3 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 5.4 t -53.88 -42.33 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.3 110.891 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.25 -56.01 26.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.84 -59.01 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 58.1 mt -55.71 -35.64 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 72.31 110.925 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.26 -49.66 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 64.23 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 97.0 p -58.77 -51.59 69.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 52.12 110.834 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -60.91 -56.42 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.919 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -52.21 -40.67 61.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 64.23 110.833 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.78 -57.71 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 55.15 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 11.6 tp -49.65 -50.31 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -64.3 -32.64 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 64.34 110.87 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.34 -58.48 7.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 75.23 110.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 778' ' ' VAL . 7.7 mp -60.1 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 72.24 110.895 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.71 -30.7 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 64.03 110.949 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 56.9 tp -70.53 -59.16 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.892 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 12.6 pt -55.17 -39.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.05 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 782' ' ' VAL . 75.5 t -67.3 -63.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.53 111.159 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.8 m -49.15 -34.35 14.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 43.4 111.144 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -69.67 -52.62 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 2.3 tp -60.44 -25.93 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.113 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 778' ' ' VAL . 46.9 t -76.88 -52.02 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 61.12 111.104 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.6 -31.59 72.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.43 110.901 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.3 tp -78.6 -50.88 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.871 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 785' ' ' LEU . 3.1 tt -69.74 -13.31 62.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 54.3 110.928 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -53.14 -50.74 50.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 73.12 112.498 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -83.64 -22.76 32.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 70.42 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -90.01 11.11 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.5 110.838 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -77.49 -15.94 80.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 70.43 112.5 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 31.7 t-105 -61.08 -62.17 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 53.24 110.92 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.67 -47.59 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.867 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -55.08 -55.78 27.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 70.32 111.095 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 45.6 mt -51.53 -51.63 53.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 62.14 110.924 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -45.04 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 63.42 110.902 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -58.26 -52.68 64.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 70.53 110.925 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -54.24 -45.34 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 74.34 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 13.3 t-105 -65.29 -56.64 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 63.34 110.898 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.74 -53.63 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.642 HD23 ' HE1' ' A' ' 803' ' ' TRP . 3.2 mp -58.56 -42.82 88.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.904 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 32.0 tp -54.56 -59.2 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.957 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -63.58 -33.68 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -62.51 -59.4 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.98 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.642 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.1 m95 -59.22 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 74.32 110.884 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.5 t -51.86 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 63.22 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.87 -35.02 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 73.13 110.904 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.6 -47.25 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 65.41 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 30.4 mt -68.98 -37.42 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.92 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.11 -58.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 53.44 110.909 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -57.64 -44.22 85.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.8 t -63.99 -51.14 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 61.41 110.833 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.17 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.44 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.29 -37.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.14 111.132 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.54 -35.92 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 65.52 110.9 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.1 -43.36 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 65.32 110.888 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 31.4 mt -63.31 -50.88 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.924 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -60.36 -58.3 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.88 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.61 53.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.039 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 47.8 m -63.22 -41.79 99.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 61.42 111.103 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.31 93.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 53.02 111.122 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.58 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 64.52 111.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.87 48.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 41.15 111.153 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.636 HG22 ' CD ' ' A' ' 828' ' ' ARG . 70.4 t -86.54 -26.05 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 61.23 111.08 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.65 -23.33 64.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 71.22 111.139 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -93.29 17.14 11.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 71.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -177.05 114.57 0.48 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.437 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m -71.27 -17.46 62.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.74 0.305 . . . . 74.2 111.121 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -51.66 -38.26 54.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 62.31 110.872 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.636 ' CD ' HG22 ' A' ' 822' ' ' VAL . 11.9 mtt-85 -62.0 -60.17 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.88 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 822' ' ' VAL . 99.2 t -52.58 -44.9 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.076 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.582 HG22 ' OE1' ' A' ' 834' ' ' GLN . 43.5 mm -66.92 -33.77 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 73.23 111.125 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.36 -47.36 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 63.34 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.92 -34.44 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.32 111.163 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.37 -52.71 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 43.31 110.935 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' GLN . . . . . 0.582 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.6 pt20 -69.92 -41.12 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.96 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.62 88.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 41.5 111.107 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.36 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 64.43 111.115 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -46.17 84.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.935 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.0 -48.16 81.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.814 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.8 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.08 -30.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.33 111.114 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -71.36 -31.0 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.871 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -83.83 -32.02 25.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 11.3 tt -145.02 131.49 9.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 64.14 111.134 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -46.79 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.713 2.275 . . . . 64.01 112.315 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 58.3 31.89 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.844 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -93.48 42.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 71.53 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.627 HG23 ' CD ' ' A' ' 848' ' ' ARG . 6.1 tp -82.94 -31.03 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.12 111.118 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 848' ' ' ARG . . . . . 0.627 ' CD ' HG23 ' A' ' 847' ' ' ILE . 0.6 OUTLIER -82.39 -53.65 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 63.11 110.858 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.08 -32.14 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 72.11 110.882 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.65 26.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 73.11 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.811 HD22 HD11 ' A' ' 854' ' ' ILE . 0.5 OUTLIER -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 74.3 110.925 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.67 -36.79 70.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.853 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -65.81 -43.68 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.815 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 854' ' ' ILE . . . . . 0.811 HD11 HD22 ' A' ' 851' ' ' LEU . 43.3 pt -72.03 -25.78 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 74.51 111.161 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -60.66 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.45 110.914 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.888 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.899 0.38 . . . . 71.34 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 753' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 754' ' ' ALA . 4.2 pp -52.25 -36.36 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.917 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.488 ' N ' HD12 ' A' ' 753' ' ' LEU . . . -62.25 -53.28 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 63.14 111.067 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 755' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 755' ' ' LEU . 4.5 mm? -58.2 -50.43 73.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 43.41 110.913 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 44.9 mm -55.75 -45.92 79.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.187 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -59.44 -54.51 45.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 74.05 110.906 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -52.68 -48.08 66.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.91 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.6 -48.27 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -60.19 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 42.31 110.924 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 761' ' ' ARG . . . . . 0.438 ' O ' HD13 ' A' ' 765' ' ' LEU . 15.3 ptm180 -59.63 -33.24 71.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 65.12 110.925 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 2.2 t -64.74 -48.73 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.839 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 763' ' ' LEU . 0.4 OUTLIER -65.42 -44.89 85.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.9 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 6.7 m -57.9 -59.37 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 65.24 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 761' ' ' ARG . 7.3 mp -57.94 -41.79 83.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.933 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.73 -54.24 48.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.43 110.862 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 80.9 p -56.47 -57.63 11.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 60.32 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -53.83 -58.26 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 75.55 110.91 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -52.23 -39.17 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.845 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.98 -58.02 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.84 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.7 -48.82 58.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -66.75 -29.72 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.4 110.881 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -68.12 -58.9 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -60.43 -43.91 96.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 63.23 110.906 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 779' ' ' THR . 10.1 tt -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.907 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.48 -54.57 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.937 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.33 -56.79 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 72.32 111.156 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 782' ' ' VAL . 89.3 t -51.75 -59.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 54.3 111.133 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 775' ' ' LEU . 53.5 p -51.78 -48.54 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.14 111.154 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 780' ' ' ARG . . . . . 0.461 ' NH1' HD13 ' A' ' 784' ' ' LEU . 9.6 tpt85 -53.81 -52.25 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 64.32 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.36 -39.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.01 111.157 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 778' ' ' VAL . 89.9 t -59.54 -44.49 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.1 111.122 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.35 -50.11 23.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.914 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.461 HD13 ' NH1' ' A' ' 780' ' ' ARG . 4.9 tp -57.23 -36.34 70.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.951 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 7.6 tp -78.87 -25.97 43.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 70.54 110.942 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -58.18 -47.9 86.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 44.33 112.524 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -85.36 -25.92 26.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 72.41 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -90.52 11.42 21.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.13 110.884 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.32 -40.54 53.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 72.01 112.461 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 31.7 t-105 -61.42 -62.14 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.714 0.293 . . . . 72.2 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.71 -54.78 37.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.901 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.23 38.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 63.41 111.074 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.71 -54.5 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 62.14 110.937 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -52.71 -42.13 64.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.887 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.77 -53.81 53.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.934 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -53.85 -46.73 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 75.14 110.861 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 797' ' ' TRP . . . . . 0.457 ' CZ3' HD23 ' A' ' 800' ' ' LEU . 16.0 t-105 -63.95 -54.85 28.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 72.31 110.934 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -53.46 -55.23 26.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.58 HD23 ' HE1' ' A' ' 803' ' ' TRP . 0.2 OUTLIER -58.72 -39.96 82.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 61.11 110.962 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.457 HD23 ' CZ3' ' A' ' 797' ' ' TRP . 54.0 tp -56.0 -58.42 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.895 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.37 -38.81 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.929 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.18 -60.22 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.958 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.58 ' HE1' HD23 ' A' ' 799' ' ' LEU . 37.0 m95 -58.39 -47.59 83.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 74.45 110.932 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.6 t -51.72 -61.24 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.829 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.02 -33.82 69.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.01 110.905 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -50.42 73.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.86 -35.37 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.23 110.934 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 71.52 110.855 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.8 -44.45 81.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 63.12 110.893 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.0 t -63.37 -51.46 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 54.01 110.871 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.25 -52.79 41.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.75 -37.37 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 75.43 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -66.63 -36.21 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.54 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.65 -43.49 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.15 -51.55 65.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -58.7 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.882 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.31 48.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.098 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.8 m -62.54 -40.85 98.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.14 111.156 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.25 -33.42 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.153 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.26 -34.4 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.12 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.85 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.54 111.051 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.3 p -86.59 -26.36 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 40.12 111.147 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.03 -25.22 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 55.33 111.146 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -93.55 17.15 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 54.14 110.899 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -56.47 -70.47 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 63.11 112.523 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.7 m -68.29 -17.46 64.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 71.25 111.124 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -33.28 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.886 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 832' ' ' VAL . 25.7 mmt180 -66.92 -60.09 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.23 110.928 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 71.9 t -53.66 -43.83 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 42.25 111.131 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.571 HG22 ' OE1' ' A' ' 834' ' ' GLN . 41.5 mt -64.91 -54.75 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 75.42 111.189 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -51.93 -36.67 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 828' ' ' ARG . 88.5 t -72.55 -49.2 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 61.31 111.133 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 833' ' ' LEU . . . . . 0.412 ' O ' HD13 ' A' ' 833' ' ' LEU . 0.6 OUTLIER -52.79 -50.56 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 51.41 110.931 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 834' ' ' GLN . . . . . 0.571 ' OE1' HG22 ' A' ' 830' ' ' ILE . 7.7 pt20 -68.0 -44.0 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.52 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -56.14 -58.82 6.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 72.24 111.112 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.11 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.078 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -51.02 -64.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 73.12 110.94 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -43.52 61.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 64.53 110.894 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.48 -62.38 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.112 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.5 tp -69.62 -14.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.44 111.119 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -67.64 -52.19 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.42 110.896 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -88.41 -26.64 22.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.85 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 21.7 mt -66.03 131.51 94.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.639 0.733 . . . . 74.21 111.132 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 83.15 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.664 2.243 . . . . 70.43 112.344 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -176.24 166.48 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -149.21 26.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 53.13 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.47 ' O ' HD13 ' A' ' 847' ' ' ILE . 0.0 OUTLIER -82.91 -26.01 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.53 111.114 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -81.22 -29.72 34.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.859 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -52.02 -50.9 60.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.14 110.881 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.88 -44.11 80.55 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 73.11 112.509 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 41.7 tp -51.68 -48.77 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 71.44 110.959 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.19 -35.15 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 60.14 110.913 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -52.09 -49.63 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.55 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 37.3 pt -77.48 -20.24 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 73.25 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 7.1 mt -93.86 18.85 9.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.971 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 43.33 110.925 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.889 0.376 . . . . 53.43 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.79 -55.59 21.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 70.03 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -54.87 -42.81 72.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.53 111.105 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.66 -54.34 47.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 75.35 110.896 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 50.6 mm -56.87 -48.96 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 64.24 111.137 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -57.95 -50.19 74.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.936 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -53.68 -54.99 30.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -57.27 -43.4 83.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.881 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -57.63 11.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.919 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -61.28 -37.06 81.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.855 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 6.6 p -62.33 -43.88 97.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.857 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.48 -53.02 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 73.34 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 42.2 t -56.86 -54.74 42.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 70.1 110.932 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 11.2 tp -56.57 -50.21 72.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.68 -43.81 85.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.909 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 68.1 m -58.54 -59.51 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 70.31 110.879 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -57.54 -55.63 32.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.967 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -52.74 -38.15 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 72.4 110.821 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.99 -57.94 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.11 110.847 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.76 -48.93 59.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -68.09 -28.9 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.33 110.839 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.55 -51.13 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 72.44 110.848 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 778' ' ' VAL . 29.3 tp -65.85 -44.12 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.923 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.16 -43.59 97.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.4 110.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.7 -53.06 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.944 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 27.0 mt -55.79 -59.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.124 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 782' ' ' VAL . 91.1 t -51.77 -59.19 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 61.44 111.122 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 89.2 m -51.68 -47.78 63.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.131 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -52.14 -55.26 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.43 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.1 -43.09 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 63.24 111.169 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.761 ' HA ' HD23 ' A' ' 785' ' ' LEU . 86.6 t -55.49 -42.97 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.35 111.17 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -80.17 -25.34 39.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 72.54 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.6 mp -77.8 -22.19 50.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 75.43 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.9 OUTLIER -73.73 -21.07 60.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.871 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -55.79 -52.04 51.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 52.42 112.462 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -84.78 -23.31 29.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 75.14 110.875 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -90.48 11.46 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.824 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -74.46 -18.65 79.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 74.1 112.465 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -62.03 -62.37 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.693 0.282 . . . . 65.44 110.916 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.13 -48.53 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 75.41 110.881 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.75 87.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 72.24 111.092 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.4 -58.96 6.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -56.52 -39.28 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.882 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -58.65 -50.43 73.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 74.4 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -59.74 -46.75 88.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.928 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -62.23 -49.27 76.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 62.53 110.874 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.99 -48.82 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 71.22 110.884 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.404 HD12 ' HE1' ' A' ' 803' ' ' TRP . 1.8 mm? -54.38 -59.13 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.957 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.01 -57.42 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 62.3 110.935 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -54.57 -33.81 60.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 63.53 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -60.36 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 70.42 110.937 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.404 ' HE1' HD12 ' A' ' 799' ' ' LEU . 7.2 m95 -61.59 -47.34 85.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.927 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.2 t -51.86 -58.37 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.914 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -60.86 -34.58 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.956 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -49.79 76.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.932 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -36.37 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.937 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -66.02 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 63.31 110.874 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -57.41 -44.19 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.829 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 19.8 t -63.61 -51.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.02 110.83 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.45 45.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.087 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.08 -37.28 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 75.32 111.15 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -66.81 -35.9 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 73.55 110.867 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.07 -43.37 67.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.43 -50.78 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 71.32 110.873 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.47 -58.3 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.89 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -42.77 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.106 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.5 m -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 60.2 111.152 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 61.35 111.08 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 47.8 mm -67.98 -35.69 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.125 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.1 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.54 111.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 818' ' ' THR . 78.5 t -86.53 -27.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.01 111.098 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -86.46 4.05 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.41 111.073 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.49 17.22 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.89 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -72.84 -138.33 0.29 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 62.51 112.461 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.6 m -61.96 -17.49 57.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.337 . . . . 51.43 111.148 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.449 ' HA ' HD12 ' A' ' 830' ' ' ILE . 0.7 OUTLIER -53.37 -37.42 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.869 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.639 ' O ' HG23 ' A' ' 832' ' ' VAL . 25.9 mmt180 -62.78 -59.46 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.858 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.31 -39.27 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.42 111.091 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.536 HG22 ' OE1' ' A' ' 834' ' ' GLN . 25.9 mt -64.29 -59.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -51.76 -38.51 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.88 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 828' ' ' ARG . 68.3 t -69.85 -43.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 41.33 111.133 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -56.88 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 834' ' ' GLN . . . . . 0.536 ' OE1' HG22 ' A' ' 830' ' ' ILE . 7.6 pt20 -59.66 -46.93 87.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.884 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.1 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 71.54 111.106 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.51 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 63.14 111.08 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.48 -60.19 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.918 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -50.83 -45.13 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.44 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 18.2 mt -64.6 -31.44 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -75.43 -38.74 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -70.66 -33.22 70.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 53.53 110.833 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 22.7 pt -145.24 141.9 17.67 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.727 . . . . 74.51 111.147 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.31 9.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 72.22 112.368 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -170.12 168.02 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 65.21 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -121.81 58.73 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 64.14 110.891 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 44.9 pt -78.24 -25.01 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 73.24 111.164 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -25.31 55.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.14 110.912 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -52.33 -37.58 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 64.04 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.61 -54.38 26.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 71.14 112.444 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.649 HD13 HD23 ' A' ' 855' ' ' LEU . 0.2 OUTLIER -56.2 -45.96 79.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 64.3 110.924 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -37.53 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.864 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -58.75 -47.87 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.907 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -73.73 -32.52 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 65.23 111.115 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.649 HD23 HD13 ' A' ' 851' ' ' LEU . 0.9 OUTLIER -64.24 -33.72 76.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.869 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.869 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 56.9 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.926 0.393 . . . . 74.42 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 753' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 756' ' ' ILE . 0.5 OUTLIER -52.43 -45.43 65.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.885 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.43 77.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 62.21 111.161 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.91 -54.96 14.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 44.32 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 756' ' ' ILE . . . . . 0.953 HD11 HD22 ' A' ' 753' ' ' LEU . 16.6 pt -60.05 -37.48 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 63.31 111.119 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -65.57 -51.15 61.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.45 110.917 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.84 -45.72 82.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 74.13 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -62.63 -43.05 99.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 43.3 110.898 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -47.64 84.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 54.23 110.924 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -62.03 -50.63 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.878 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -54.93 23.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.884 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.58 -38.3 84.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 74.12 110.917 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 53.0 t -58.61 -63.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 63.23 110.923 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.07 -50.03 75.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.905 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -52.13 -53.94 36.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 72.43 110.865 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 28.1 t -58.23 -43.38 87.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.865 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.42 -60.52 3.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 74.34 110.869 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.37 -41.59 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.12 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -62.56 -57.95 9.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.897 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.89 -50.83 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.919 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -64.28 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.848 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -58.81 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 778' ' ' VAL . 17.8 tp -60.14 -46.94 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.874 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 779' ' ' THR . 18.0 tp -61.12 -32.15 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 65.44 110.929 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 36.7 tp -69.48 -60.35 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.944 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 9.9 tt -53.39 -41.32 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 52.53 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 782' ' ' VAL . 76.0 t -64.81 -62.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 52.11 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 775' ' ' LEU . 66.8 p -52.87 -28.68 24.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 75.1 111.118 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -70.55 -59.2 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 41.4 mm -58.69 -31.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 61.44 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 778' ' ' VAL . 96.6 t -71.92 -50.15 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.21 111.134 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.24 -32.98 74.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 62.22 110.875 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.9 tp -74.48 -44.3 52.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.424 ' O ' HD23 ' A' ' 785' ' ' LEU . 2.1 tt -73.84 -22.64 59.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 72.21 110.887 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.35 -27.49 24.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 75.03 112.479 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -52.37 -42.55 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 71.15 110.852 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -103.87 -25.77 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.869 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -61.05 -18.57 55.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 73.04 112.493 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -49.47 64.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.696 0.284 . . . . 73.01 110.91 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -52.07 -57.78 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 74.32 110.884 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.22 -51.2 56.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 62.33 111.104 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 25.2 mt -50.29 -58.64 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.92 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -43.68 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.951 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -55.05 -61.89 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.912 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -48.33 -45.4 35.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 74.52 110.935 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -65.73 -34.45 78.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.913 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -66.98 -56.07 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.8 -51.13 70.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 53.14 110.982 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.71 -59.17 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.903 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -54.48 -33.97 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.948 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -59.16 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -58.27 -47.45 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 74.41 110.897 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.4 t -52.29 -61.09 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.24 110.888 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -57.98 -33.3 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.93 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -50.34 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 60.21 110.85 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -67.09 -59.74 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 54.33 110.884 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -56.87 -44.58 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 61.11 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.7 t -63.22 -51.55 65.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 61.54 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.76 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.34 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.76 -37.36 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 63.14 111.121 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.62 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 64.23 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.66 -43.46 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.926 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.26 -51.52 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.91 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -59.59 -58.71 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.913 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.88 -43.27 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 65.44 111.081 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.1 m -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 63.44 111.171 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.55 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.25 -33.48 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 65.04 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.28 -34.34 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.5 111.129 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.17 -25.82 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.075 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.39 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.144 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -79.24 -25.2 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 52.02 111.113 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -94.57 17.2 13.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.907 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -52.81 -87.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 71.2 112.433 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.9 m -62.02 -17.54 57.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 73.42 111.166 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.6 -36.19 44.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.873 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -63.92 -58.93 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 95.9 t -54.01 -41.55 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.51 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.37 -34.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.144 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.42 -47.81 66.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.91 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.16 -38.67 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 75.4 111.106 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.7 -40.98 84.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 65.23 110.942 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -53.29 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.55 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 73.43 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -55.98 -59.64 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 65.21 111.057 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 837' ' ' TYR . . . . . 0.712 ' HA ' HD12 ' A' ' 840' ' ' ILE . 13.8 t80 -56.47 -40.29 74.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 71.34 110.909 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.96 -50.86 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 74.25 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.14 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 52.32 111.119 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 837' ' ' TYR . 20.8 mt -59.82 -39.57 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 51.34 111.102 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -83.32 -25.81 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.22 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -32.11 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.85 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.0 pt -143.22 77.18 15.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.588 0.709 . . . . 55.22 111.106 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -47.13 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 70.52 112.323 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -53.47 104.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 75.45 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -176.88 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 73.54 110.826 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 847' ' ' ILE . 0.2 OUTLIER -55.37 -21.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 65.24 111.14 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -65.58 -62.74 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.874 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -56.8 -41.44 77.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 62.42 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.81 -49.72 57.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 63.35 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.15 -44.39 83.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 75.03 110.906 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -73.45 -29.11 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.02 110.914 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -72.21 -43.06 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.54 110.858 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 35.6 pt -73.4 -26.05 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.43 111.153 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -39.53 91.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.24 110.946 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 65.42 110.891 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.885 0.374 . . . . 71.24 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.96 -32.52 33.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.93 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.18 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.51 111.118 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.37 -44.93 89.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.78 -46.05 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.068 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -58.77 -52.71 64.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.931 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -55.3 -49.96 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.844 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.08 -50.92 72.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 61.45 110.881 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -59.97 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 71.41 110.904 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -54.08 -50.27 67.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 54.23 110.854 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 8.7 t -53.61 -43.79 68.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 64.43 110.854 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.72 -55.64 28.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.912 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 5.1 t -55.67 -59.4 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 9.7 mp -52.34 -38.91 59.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.93 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.73 -52.09 66.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.867 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.0 t -58.51 -54.11 50.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 51.51 110.85 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -56.66 -54.84 41.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.92 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -52.8 -40.52 63.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 74.43 110.874 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -62.29 -57.98 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.91 -50.43 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.914 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -63.86 -32.27 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -63.19 -58.82 5.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.865 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 778' ' ' VAL . 15.3 tp -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.41 110.894 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -32.11 71.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 72.35 110.958 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.68 -61.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.52 110.952 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.9 tt -52.98 -42.9 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 73.11 111.122 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 782' ' ' VAL . 74.7 t -62.87 -63.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.04 111.103 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.2 m -52.0 -44.36 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.104 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 780' ' ' ARG . . . . . 0.521 ' O ' HD13 ' A' ' 784' ' ' LEU . 19.1 tpp180 -56.17 -53.76 53.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.919 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 30.7 mt -61.01 -42.04 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.163 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.748 ' HA ' HD23 ' A' ' 785' ' ' LEU . 98.7 t -56.47 -43.69 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.163 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -80.09 -25.31 40.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.856 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 780' ' ' ARG . 5.4 mp -77.93 -22.31 49.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 72.22 110.936 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.9 OUTLIER -73.5 -22.81 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 64.11 110.91 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.09 -28.11 24.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 64.51 112.5 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -58.56 -24.6 61.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 64.54 110.898 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -52.53 -30.35 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 70.53 110.872 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -54.55 -25.25 34.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 63.42 112.503 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -62.52 -55.69 25.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.728 0.299 . . . . 72.23 110.923 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -52.15 -54.24 33.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 63.14 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.51 -53.06 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 55.21 111.106 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.41 -55.57 17.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 43.13 110.913 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -51.92 -42.82 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.886 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.43 -54.13 50.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.938 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -53.46 -48.06 69.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 75.11 110.907 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -62.92 -57.75 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.11 110.93 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -50.86 -49.34 59.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 72.34 110.855 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.627 HD23 ' HE1' ' A' ' 803' ' ' TRP . 2.7 mp -59.58 -45.96 90.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 60.43 110.901 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -59.42 4.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.919 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.82 -34.34 77.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.884 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.86 -59.89 4.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.949 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.627 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.2 m95 -58.21 -47.75 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.85 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.84 -33.68 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.925 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -50.46 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.861 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.918 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.898 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -56.96 -44.31 82.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.0 t -63.52 -51.41 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 70.31 110.867 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.56 44.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 74.5 111.156 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.05 -37.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 71.23 111.103 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.73 -35.88 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.17 -43.19 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.923 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.51 -50.76 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 52.54 110.945 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.66 -58.25 9.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 53.23 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -43.15 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 62.33 111.144 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 822' ' ' VAL . 50.0 m -63.13 -41.26 99.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 54.53 111.122 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.39 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 72.41 111.077 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.59 -35.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.119 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.06 -28.01 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 50.31 111.118 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 818' ' ' THR . 71.9 t -86.52 -25.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.46 -24.02 64.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 63.21 111.096 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.34 17.12 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 71.34 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -171.29 104.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.737 . . . . 64.24 112.52 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m -67.09 -17.5 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 70.04 111.165 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.621 ' HA ' HD12 ' A' ' 830' ' ' ILE . 1.9 p30 -51.83 -51.85 53.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.861 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 832' ' ' VAL . 8.0 tpt180 -51.93 -51.5 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.885 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.38 -37.73 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.131 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 827' ' ' ASP . 20.4 mt -67.27 -53.15 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.122 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.33 -37.04 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.851 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 828' ' ' ARG . 95.6 t -74.61 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.12 111.099 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 833' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 833' ' ' LEU . 0.7 OUTLIER -51.78 -39.88 59.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.908 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -70.49 -55.44 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.54 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.31 111.122 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.59 -55.31 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.15 111.15 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -51.79 -57.09 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.95 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -53.87 -45.89 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 73.43 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.51 -61.72 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 71.31 111.12 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.404 ' HA ' ' HB ' ' A' ' 843' ' ' ILE . 10.9 tp -60.72 -17.78 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.146 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -74.79 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -85.73 0.61 52.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.857 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.496 HD13 ' N ' ' A' ' 844' ' ' PRO . 0.0 OUTLIER -49.09 130.95 15.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 72.53 111.138 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 844' ' ' PRO . . . . . 0.496 ' N ' HD13 ' A' ' 843' ' ' ILE . 54.2 Cg_endo -69.71 78.85 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 71.54 112.387 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -147.09 179.47 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 61.22 110.896 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -95.84 164.84 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 33.6 pt -57.43 -28.77 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 64.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -57.36 -26.16 60.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 52.41 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -51.93 -57.91 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.913 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.2 91.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 45.14 112.48 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 18.2 tp -51.94 -42.69 63.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.76 0.314 . . . . 74.14 110.929 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -86.21 -33.37 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.875 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.59 70.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.843 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.35 -13.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 63.34 111.112 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 855' ' ' LEU . 3.3 tp -87.25 -40.48 14.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.93 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 61.33 110.919 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.861 0.363 . . . . 62.41 110.82 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.06 -58.8 5.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 61.51 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -53.48 -41.17 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 54.31 111.082 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.31 -51.76 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 62.23 110.877 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.23 -54.18 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.126 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -52.89 -55.2 25.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 61.34 110.907 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -52.63 -58.58 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 65.42 110.899 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -51.93 -36.12 48.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.895 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -60.55 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -51.63 -45.15 63.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.91 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 1.4 p -58.05 -58.28 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.852 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 20.5 mt -53.02 -37.0 61.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.99 -63.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 63.52 110.882 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.85 -47.48 77.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 45.5 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -58.84 -45.25 90.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.903 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 5.0 m -59.07 -47.71 84.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 65.25 110.896 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -59.13 -58.28 9.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 72.41 110.966 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.98 -41.79 75.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 63.35 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -62.39 -57.95 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.898 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.93 -50.23 47.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.918 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -64.11 -32.2 73.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.848 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.24 -58.88 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 62.35 110.829 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 778' ' ' VAL . 33.0 tp -59.41 -47.59 84.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.941 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.01 -32.06 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 70.1 110.951 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.01 -61.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.22 110.929 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 4.8 tp -52.94 -42.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.15 111.146 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 782' ' ' VAL . 72.7 t -63.33 -63.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.2 111.094 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -51.39 -33.19 28.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 72.53 111.184 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -66.25 -56.24 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.82 -27.77 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 70.15 111.168 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 778' ' ' VAL . 92.7 t -71.35 -53.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.122 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -63.04 -35.04 78.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.926 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.2 tp -73.77 -39.4 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 70.41 110.943 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 23.9 tp -75.79 -25.11 56.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.914 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.33 -29.2 29.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.725 . . . . 51.11 112.453 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -52.42 -54.26 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.761 0.315 . . . . 75.01 110.859 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.26 11.45 34.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.814 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -58.5 -20.38 45.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 44.04 112.458 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -51.94 -49.29 63.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 73.43 110.934 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.33 -56.83 16.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.909 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.55 -53.29 39.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 51.03 111.101 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.33 -56.53 10.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 74.01 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -44.21 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.922 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -56.45 -58.55 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.934 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 796' ' ' TRP . . . . . 0.439 ' O ' HD12 ' A' ' 800' ' ' LEU . 26.7 m95 -52.03 -42.2 62.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 62.23 110.925 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -64.66 -50.07 68.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.925 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -61.02 -58.6 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 61.33 110.876 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -47.43 63.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 70.22 110.937 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 796' ' ' TRP . 12.4 mt -55.4 -58.61 7.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 73.52 110.885 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -57.43 -33.85 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 50.11 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -60.12 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.885 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -57.27 -47.4 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 50.22 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.2 t -51.85 -61.22 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.826 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -57.83 -33.37 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 74.24 110.927 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -50.48 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.94 -35.25 78.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 60.12 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -67.19 -59.72 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.34 110.928 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -56.74 -44.66 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.885 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.3 t -63.3 -51.25 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.84 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.78 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.113 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.75 -37.4 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.05 111.109 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -66.54 -36.28 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.65 -43.45 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 64.32 110.961 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.17 -51.54 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 60.42 110.936 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -58.7 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 70.54 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.28 48.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 71.44 111.097 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.59 -40.79 98.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.141 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.3 -33.42 74.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 53.21 111.127 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.29 -34.36 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 75.2 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.12 -25.92 29.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.067 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.58 -26.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 64.31 111.085 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.86 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 64.43 111.131 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -77.21 -5.83 50.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 64.24 110.871 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -117.6 -177.31 17.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 74.12 112.501 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m -82.28 -17.48 45.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 63.53 111.143 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.19 -39.29 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 62.15 110.841 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -53.15 56.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.51 110.87 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.1 -52.45 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.407 ' O ' HD13 ' A' ' 830' ' ' ILE . 0.0 OUTLIER -65.53 -30.73 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 65.33 111.17 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 70.3 t -74.75 -38.59 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 63.42 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.33 -47.16 87.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 62.31 110.94 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -73.45 -49.36 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.86 -42.94 76.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.12 111.136 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -72.14 -55.35 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 55.15 111.092 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.25 -44.67 65.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 70.35 110.896 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -70.7 -43.95 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 62.1 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.631 HD12 HD12 ' A' ' 847' ' ' ILE . 12.4 tt -82.88 -32.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.32 111.127 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -67.87 -28.13 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.1 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.509 ' O ' HD13 ' A' ' 843' ' ' ILE . 9.4 m-70 -102.87 -31.84 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 62.21 110.863 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 842' ' ' HIS . 45.2 mm -140.31 79.23 21.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 73.14 111.119 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 79.22 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 73.32 112.321 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -152.39 126.23 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.854 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? 58.54 95.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.891 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.631 HD12 HD12 ' A' ' 840' ' ' ILE . 30.6 mm -82.3 -54.0 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 64.1 111.124 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -52.15 -35.92 49.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.916 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.19 -47.96 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 850' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 854' ' ' ILE . . . -70.14 -51.4 23.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 63.2 112.521 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.72 -23.01 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 62.31 110.934 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -91.39 -49.13 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.25 110.868 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -59.65 -26.07 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.851 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 854' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 850' ' ' GLY . 2.2 pp -90.13 -24.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 52.44 111.149 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -44.04 97.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.918 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 50.54 110.953 179.859 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.906 0.384 . . . . 71.34 110.795 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.8 -55.5 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 54.44 110.961 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -52.3 -46.37 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.25 111.096 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.48 -54.49 43.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 62.21 110.9 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 47.9 mm -53.43 -52.16 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 62.31 111.125 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -58.86 -44.41 91.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -53.49 -53.87 45.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.858 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -67.44 -38.88 85.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.27 -52.44 65.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 61.22 110.934 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -67.1 -48.6 67.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.876 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 7.0 t -54.11 -50.1 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.853 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 763' ' ' LEU . 0.4 OUTLIER -65.36 -42.12 93.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 65.01 110.949 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.31 -57.03 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.9 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.86 -48.86 78.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -57.67 -45.39 85.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.863 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.9 t -58.85 -57.63 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 63.13 110.886 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -52.51 -51.65 58.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.873 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.26 -41.27 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.844 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -61.72 -57.55 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 63.31 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.91 -51.15 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.908 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -28.54 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.898 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.97 -57.53 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.886 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 778' ' ' VAL . 0.8 OUTLIER -60.89 -43.91 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.894 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.08 -40.76 98.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.908 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.62 -54.86 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.9 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 42.4 mm -56.82 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.15 111.157 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 782' ' ' VAL . 93.6 t -51.57 -58.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.15 111.115 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -53.12 -47.52 68.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.1 -52.73 49.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.826 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.82 -44.11 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.23 111.115 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.781 ' HA ' HD23 ' A' ' 785' ' ' LEU . 61.6 t -55.22 -42.06 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.35 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -80.34 -25.31 39.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.1 mp -77.62 -22.85 50.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 65.51 110.911 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.9 OUTLIER -73.16 -22.54 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 64.04 110.94 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.14 -27.74 23.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 61.23 112.513 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -80.43 -53.96 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 75.15 110.902 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -61.24 -25.9 67.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 64.43 110.85 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -53.74 -27.18 34.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 61.54 112.539 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -52.96 -59.39 4.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.31 . . . . 74.14 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -53.13 -53.69 46.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 65.5 110.87 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.94 30.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 71.31 111.108 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 49.2 mt -51.7 -53.16 42.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.884 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -53.48 -41.74 66.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.874 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.85 -51.25 70.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.882 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -55.53 -46.58 77.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -65.44 -55.13 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.931 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.8 -53.54 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 54.45 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.676 HD23 ' HE1' ' A' ' 803' ' ' TRP . 2.9 mp -59.43 -43.31 93.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.905 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 30.9 tp -54.77 -59.27 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.876 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.05 -32.92 74.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 60.23 110.935 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -62.87 -59.15 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.909 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.676 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.1 m95 -59.84 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 72.34 110.926 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.3 t -52.06 -61.27 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.871 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -61.45 -31.93 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.15 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.13 -48.5 78.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 72.43 110.872 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.38 -35.1 75.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 63.24 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 812' ' ' VAL . 18.2 tttm -69.32 -57.86 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -57.75 -45.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.89 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.8 t -63.13 -51.13 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.857 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.44 -52.56 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 33.05 111.096 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 812' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 808' ' ' LYS . 46.8 t -62.95 -37.23 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 60.32 111.139 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -66.88 -35.87 81.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 70.43 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.11 -43.21 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.954 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.55 -50.87 67.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.22 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.63 -58.29 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.833 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.24 52.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 41.04 111.081 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.3 m -63.05 -41.26 99.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 63.34 111.153 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.45 93.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 55.34 111.07 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.65 -35.56 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 72.34 111.125 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.15 -28.05 48.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 61.11 111.105 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 818' ' ' THR . 71.1 t -86.59 -25.78 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.43 111.103 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.75 -25.16 63.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 61.34 111.128 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -77.3 -5.75 50.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 64.12 110.864 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -99.2 165.31 20.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 64.04 112.51 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.5 m -81.38 -17.53 48.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 74.41 111.125 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.95 -43.07 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.01 110.88 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.532 ' HG2' HG12 ' A' ' 822' ' ' VAL . 7.2 mmt85 -59.03 -51.43 70.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.833 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 49.5 t -57.04 -59.34 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.51 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 830' ' ' ILE . 0.0 OUTLIER -57.34 -30.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.15 111.168 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -67.06 -45.7 76.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 34.54 110.869 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 828' ' ' ARG . 66.6 t -67.34 -39.08 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 70.25 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.85 -55.58 14.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.94 -36.35 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.928 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -70.54 -55.11 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 61.15 111.111 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' ALA . . . . . 0.684 ' O ' HG23 ' A' ' 840' ' ' ILE . . . -50.35 -53.16 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.153 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 837' ' ' TYR . . . . . 0.427 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -62.47 -49.57 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.885 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -52.7 -28.42 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.84 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -80.41 -49.42 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.05 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -65.8 -15.77 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.106 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -95.8 -42.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -70.62 -32.03 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.839 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 10.2 pt -145.07 71.77 14.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 54.34 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.55 38.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.246 . . . . 65.04 112.344 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 27.9 tpt85 63.13 38.58 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 73.24 110.849 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 25.3 ttp85 -174.82 33.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.907 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 31.0 pt -82.9 -29.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.34 111.164 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -52.15 -44.37 64.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.861 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -52.38 -29.88 26.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.52 110.924 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.88 -53.96 10.41 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.479 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.46 -35.15 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.724 0.297 . . . . 55.33 110.83 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -76.18 -37.17 58.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.87 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -65.61 -40.96 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 32.3 pt -74.62 -25.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.25 111.082 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.584 ' HB3' HD23 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -62.89 -61.14 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 70.2 110.872 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 855' ' ' LEU . 2.2 pt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.926 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.945 0.403 . . . . 71.53 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.8 -56.01 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.897 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -51.85 -46.43 64.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 71.21 111.117 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 19.3 mt -55.21 -54.59 41.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.945 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 43.4 mm -53.4 -52.57 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 71.22 111.144 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -58.43 -44.66 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.933 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -53.31 -54.57 34.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.866 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.61 -38.74 87.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.828 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.62 -59.81 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.944 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -61.44 -48.27 81.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.05 110.85 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.7 t -53.76 -47.92 70.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 71.44 110.895 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.8 -50.78 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.05 110.933 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.02 -60.63 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 72.52 110.868 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.83 -37.53 66.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 53.24 110.86 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -65.9 -45.0 83.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 62.24 110.85 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 53.6 p -61.64 -47.35 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 72.24 110.895 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -63.17 -59.41 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.904 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -52.12 -38.8 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.14 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -63.21 -58.08 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.54 110.912 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 771' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 771' ' ' LEU . 0.5 OUTLIER -50.61 -48.78 57.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 44.0 110.922 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -66.92 -29.82 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 54.44 110.904 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -68.1 -58.94 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 72.14 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -60.38 -43.84 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 65.01 110.946 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 779' ' ' THR . 10.5 tt -62.34 -42.32 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.861 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.57 -54.43 43.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 53.14 110.906 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.44 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.162 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 782' ' ' VAL . 87.9 t -51.66 -59.81 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 62.14 111.152 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 775' ' ' LEU . 53.5 p -51.97 -46.77 64.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 71.03 111.171 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -53.07 -60.59 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.1 mm -52.01 -42.95 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.21 111.163 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 778' ' ' VAL . 84.1 t -57.09 -45.99 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 62.22 111.166 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.95 -47.83 76.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 70.22 110.858 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.05 -26.49 68.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.961 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.6 -23.93 56.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.42 110.868 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -53.15 -46.17 62.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 64.42 112.492 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -84.23 -24.15 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 54.41 110.866 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.51 11.49 21.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.874 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -53.34 -28.91 36.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 73.35 112.501 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -82.84 -62.06 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 74.14 110.915 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -52.1 -55.79 18.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.868 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.25 -52.09 48.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.15 111.085 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.27 -57.04 9.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.923 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -51.71 -41.68 61.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.902 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -58.38 -58.87 6.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -50.54 -46.33 57.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 73.04 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -62.69 -56.14 20.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.943 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -53.29 -56.53 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 65.42 110.888 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mt -54.46 -41.16 69.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.907 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 800' ' ' LEU . 3.4 tm? -57.1 -56.76 17.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 54.13 110.954 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.881 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -60.26 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 63.43 110.891 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -57.57 -47.62 81.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.908 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.0 t -51.5 -61.33 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.04 110.847 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -57.65 -33.97 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 61.15 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.48 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.899 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.43 -35.71 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.876 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -66.92 -59.95 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.912 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.82 -44.42 77.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.9 t -64.39 -49.87 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.44 110.83 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.54 -53.37 38.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.093 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' VAL . . . . . 0.599 ' HA ' HD23 ' A' ' 815' ' ' LEU . 68.4 t -63.18 -38.44 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 54.34 111.101 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -65.61 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.33 110.905 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -47.0 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 72.52 110.855 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 812' ' ' VAL . 0.5 OUTLIER -65.12 -34.92 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 51.23 110.904 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.33 -60.35 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.83 -41.81 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.167 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 98.5 m -64.9 -41.74 95.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.44 111.106 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.71 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 71.31 111.112 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.72 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -75.54 -27.47 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 53.22 111.05 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 818' ' ' THR . 75.2 t -86.63 -26.07 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 65.54 111.11 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -73.56 -25.3 60.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 63.41 111.1 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -93.38 17.09 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 70.41 110.897 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -127.73 64.54 0.59 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.702 -0.761 . . . . 74.41 112.452 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 7.2 m -71.18 -17.51 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.747 0.308 . . . . 65.12 111.108 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -52.92 -41.53 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 74.15 110.922 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -60.74 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.01 110.854 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -57.26 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.147 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.45 ' O ' HD13 ' A' ' 830' ' ' ILE . 0.0 OUTLIER -60.25 -30.86 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.13 111.106 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.3 -63.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.22 -35.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.144 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.51 -60.66 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 52.43 110.883 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.59 -34.28 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.21 32.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 55.52 111.089 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.72 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.099 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.24 -40.27 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.946 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -57.51 -50.09 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.14 110.84 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.81 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.13 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 32.6 mm -64.34 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 71.24 111.128 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -71.2 -41.97 69.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.893 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -71.07 -31.65 68.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 65.15 110.84 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 39.0 mt -134.72 77.25 58.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.656 0.741 . . . . 75.11 111.112 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -48.01 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 71.24 112.314 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 52.06 86.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 63.53 110.858 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -56.89 -26.31 58.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.882 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 44.2 mm -75.52 -35.22 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.101 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 848' ' ' ARG . . . . . 0.641 ' HG2' HD11 ' A' ' 851' ' ' LEU . 17.6 ttm180 -69.01 -26.19 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.855 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -60.11 -30.92 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 75.15 110.901 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 850' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 854' ' ' ILE . . . -74.87 -54.06 6.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 75.14 112.464 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.641 HD11 ' HG2' ' A' ' 848' ' ' ARG . 3.9 pp -61.76 -30.51 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 70.33 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 852' ' ' GLU . . . . . 0.608 ' N ' HD12 ' A' ' 851' ' ' LEU . 43.9 tp10 -79.42 -44.83 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.875 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 60.51 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 854' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 850' ' ' GLY . 26.3 pt -68.73 -28.02 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.137 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.482 ' HB3' HD23 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -62.65 -61.42 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.14 110.903 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.563 HD21 ' OE1' ' A' ' 852' ' ' GLU . 1.7 pt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.881 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.897 0.38 . . . . 63.42 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 753' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 754' ' ' ALA . 2.4 pp -51.97 -46.34 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 70.31 110.934 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.458 ' N ' HD12 ' A' ' 753' ' ' LEU . . . -62.85 -33.14 74.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 52.32 111.102 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 19.5 tp -69.76 -54.82 11.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 54.32 110.928 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 18.3 pt -59.86 -36.37 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.23 111.181 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -67.91 -52.47 36.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.879 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -55.19 -45.05 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 74.01 110.895 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -62.86 -51.43 67.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 73.01 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -46.84 64.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.03 110.95 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -69.0 -34.03 74.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 6.6 p -65.14 -44.17 89.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 70.3 110.888 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.422 ' O ' HD13 ' A' ' 763' ' ' LEU . 0.4 OUTLIER -71.23 -47.63 56.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.9 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 12.9 t -59.89 -49.51 77.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.11 110.85 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.89 -52.17 61.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 63.3 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -56.48 -47.21 79.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.05 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 16.6 m -58.53 -59.37 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.837 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -55.44 -57.93 9.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 51.54 110.895 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -39.1 59.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.829 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -62.77 -58.29 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 64.33 110.854 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.9 tp -50.65 -48.63 58.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.903 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 772' ' ' ARG . . . . . 0.485 ' O ' HD13 ' A' ' 776' ' ' LEU . 66.0 ttp85 -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.844 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.8 -58.92 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 70.22 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 778' ' ' VAL . 23.5 tp -60.61 -42.17 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 63.13 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.53 -45.61 91.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.93 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 776' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 772' ' ' ARG . 5.0 mp -62.39 -54.45 40.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 75.42 110.909 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.69 -60.09 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 54.02 111.125 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 782' ' ' VAL . 91.2 t -51.53 -58.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 63.12 111.169 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 98.2 m -51.73 -47.82 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.11 111.147 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.27 -55.57 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.01 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.58 -44.32 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.44 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.783 ' HA ' HD23 ' A' ' 785' ' ' LEU . 80.7 t -54.71 -42.38 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 60.03 111.149 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -80.28 -25.26 39.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.03 110.926 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.1 mp -77.74 -22.22 50.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 73.24 110.978 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.9 OUTLIER -73.76 -23.03 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.907 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.64 -52.49 37.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 63.22 112.492 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -85.44 -21.27 28.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 72.14 110.875 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -90.26 11.38 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 60.44 110.869 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.91 -28.83 33.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 72.33 112.45 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 790' ' ' TRP . . . . . 0.638 ' HA ' HD23 ' A' ' 793' ' ' LEU . 8.0 t-105 -73.99 -52.57 12.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.7 0.286 . . . . 71.15 110.902 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -50.94 -41.32 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 54.44 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -62.06 -59.2 5.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 51.51 111.092 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 790' ' ' TRP . 0.4 OUTLIER -52.36 -33.19 41.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.905 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -45.77 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.907 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.5 -49.95 75.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.947 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -59.94 -46.56 89.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 63.31 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -62.65 -49.65 74.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 75.15 110.878 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.05 -60.53 3.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 1.2 mp -51.88 -44.64 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.891 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.78 -58.31 8.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.892 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.48 -31.02 67.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.868 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -60.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 72.2 110.954 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -58.79 -47.32 85.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 73.51 110.863 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.5 t -52.06 -61.01 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 44.02 110.879 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -58.48 -33.26 69.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.878 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -49.76 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.921 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.27 -34.98 77.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.927 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -68.04 -58.98 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.899 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -57.15 -44.87 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 65.04 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 27.7 t -63.13 -51.41 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.83 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.7 43.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 63.54 111.081 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.76 -37.33 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 61.22 111.138 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.66 -36.3 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 54.05 110.852 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.61 -43.44 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.91 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.25 -51.55 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 62.53 110.95 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -59.65 -58.66 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 75.11 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.32 49.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.52 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.2 m -62.64 -40.6 97.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.51 111.168 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.29 -33.46 74.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.13 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.3 -34.31 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.152 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.2 -25.72 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 31.42 111.13 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.4 111.162 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -86.73 4.09 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.24 111.106 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -124.23 17.19 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 43.33 110.889 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -65.21 -110.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 31.43 112.513 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 15.3 t -80.96 -17.5 50.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 62.11 111.188 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.04 -43.66 63.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -58.62 -35.72 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.922 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.424 ' HA ' HG12 ' A' ' 832' ' ' VAL . 21.8 t -76.2 -34.81 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.41 111.156 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.6 mm -73.32 -40.47 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.12 111.162 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.84 -42.3 67.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 73.24 110.903 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 829' ' ' VAL . 7.2 p -67.44 -36.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 61.22 111.142 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.14 -54.44 12.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -60.76 -37.9 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.15 -54.54 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.44 111.101 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.63 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.072 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -57.03 -62.18 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 63.12 110.908 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -43.89 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.1 110.904 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.59 -53.17 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -79.6 -10.71 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 70.35 111.12 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -75.79 -43.95 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.868 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -106.87 -15.18 14.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.889 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 72.2 mt -139.49 87.31 13.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 63.35 111.136 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.81 15.15 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.712 2.275 . . . . 73.1 112.378 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -158.32 26.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.828 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.12 29.96 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.885 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.25 -26.9 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.43 111.132 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -27.49 59.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.876 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -51.96 -32.17 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -63.57 -55.05 27.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 75.41 112.496 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.648 ' O ' HD23 ' A' ' 851' ' ' LEU . 4.8 tt -66.4 -28.61 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 75.12 110.929 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -78.11 -28.6 48.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 70.43 110.897 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -80.82 -35.79 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 71.03 110.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 15.4 pt -91.42 15.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 72.25 111.124 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.96 -60.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.02 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 72.12 110.87 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.948 0.404 . . . . 64.54 110.798 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 42.1 mt -54.76 -47.02 74.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 62.02 110.933 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.83 63.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 60.21 111.126 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 20.9 tp -70.32 -55.63 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 65.55 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 756' ' ' ILE . . . . . 0.45 HD12 ' N ' ' A' ' 757' ' ' TRP . 2.6 pp -67.04 -36.56 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 70.21 111.15 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 757' ' ' TRP . . . . . 0.45 ' N ' HD12 ' A' ' 756' ' ' ILE . 11.6 t-105 -67.45 -44.99 77.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.849 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.08 -44.95 90.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 44.32 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -62.31 -49.11 76.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.11 110.838 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.97 -57.59 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 64.24 110.907 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 761' ' ' ARG . . . . . 0.457 ' O ' HD13 ' A' ' 765' ' ' LEU . 13.5 ptm180 -58.93 -31.95 69.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.875 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 29.2 t -65.75 -54.69 23.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 63.24 110.879 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.4 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 74.03 110.934 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 2.1 m -58.48 -60.19 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.881 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 761' ' ' ARG . 7.1 mp -58.01 -36.17 72.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.921 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.73 -59.12 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.895 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.5 t -56.02 -53.54 55.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 54.45 110.875 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -54.25 -55.17 30.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.1 110.889 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.42 110.901 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -61.21 -58.09 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.23 -51.88 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -62.04 -31.61 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.871 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -65.98 -59.19 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.03 110.88 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.01 -48.67 75.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.45 110.926 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.22 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.09 -41.51 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 53.33 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -66.08 -58.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.54 111.143 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 782' ' ' VAL . 7.3 p -51.53 -43.95 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.13 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 778' ' ' VAL . 98.8 m -61.7 -52.74 63.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 60.35 111.149 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 780' ' ' ARG . . . . . 0.436 ' HG3' HD12 ' A' ' 784' ' ' LEU . 12.1 tpt180 -50.79 -45.45 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 72.42 110.905 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 43.1 mm -62.91 -45.17 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.51 111.119 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.786 ' HA ' HD23 ' A' ' 785' ' ' LEU . 86.0 t -55.63 -40.71 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.161 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -79.83 -26.54 40.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 65.14 110.872 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.436 HD12 ' HG3' ' A' ' 780' ' ' ARG . 0.2 OUTLIER -76.4 -23.67 54.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 61.31 110.901 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.8 OUTLIER -74.58 -13.85 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.867 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -81.79 -30.28 36.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 72.35 112.459 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -85.39 -37.41 19.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 64.52 110.904 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -59.84 -23.91 63.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -69.09 -24.17 75.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 73.43 112.526 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' TRP . . . . . 0.607 ' HA ' HD23 ' A' ' 793' ' ' LEU . 26.9 t-105 -82.87 -54.67 4.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 74.13 110.927 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -49.74 -43.21 47.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.2 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -58.88 -58.78 7.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 50.53 111.08 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' LEU . . . . . 0.607 HD23 ' HA ' ' A' ' 790' ' ' TRP . 0.4 OUTLIER -52.96 -33.23 50.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 71.52 110.934 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -67.23 -45.33 77.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.937 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -61.9 -47.19 86.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.905 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -58.99 -47.8 83.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 73.05 110.922 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -65.86 -48.51 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.34 110.956 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -57.64 -57.3 13.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.32 110.893 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 799' ' ' LEU . . . . . 0.573 HD23 ' HE1' ' A' ' 803' ' ' TRP . 4.8 mp -57.36 -41.47 80.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 73.15 110.906 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.49 ' C ' HD13 ' A' ' 800' ' ' LEU . 2.8 tm? -54.84 -59.17 5.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 52.52 110.944 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.937 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -62.73 -60.18 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.935 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' TRP . . . . . 0.573 ' HE1' HD23 ' A' ' 799' ' ' LEU . 24.7 m95 -57.88 -48.06 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 63.41 110.895 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.7 t -52.1 -61.05 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 72.44 110.885 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -57.79 -32.82 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 53.2 110.928 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.85 -50.29 74.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.2 -35.15 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 54.25 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.51 -59.44 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -56.95 -44.72 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 72.4 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.4 t -63.19 -51.31 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 62.32 110.895 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.79 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 55.53 111.041 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.81 -37.32 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 65.25 111.129 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 55.03 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.64 -43.52 69.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 65.22 110.906 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.11 -51.63 65.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 52.51 110.956 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -58.73 7.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.906 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.77 -43.24 48.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.074 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.65 -40.82 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 71.43 111.149 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.26 -33.56 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.53 111.059 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.19 -34.36 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.55 111.117 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.16 -25.84 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.15 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.713 HG23 ' HB2' ' A' ' 828' ' ' ARG . 1.4 p -86.62 -26.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 61.04 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -70.3 -24.07 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.11 111.099 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -96.13 -5.54 40.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.9 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.02 119.67 1.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 41.14 112.487 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 5.4 t -77.86 -17.58 57.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 65.15 111.14 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 830' ' ' ILE . 14.5 t70 -51.98 -41.44 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.881 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.713 ' HB2' HG23 ' A' ' 822' ' ' VAL . 13.5 mtp180 -59.31 -56.69 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 73.04 110.875 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 822' ' ' VAL . 60.0 t -54.55 -40.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.41 111.192 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 827' ' ' ASP . 37.0 mt -64.25 -58.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 75.22 111.178 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.97 -37.51 53.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.03 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 828' ' ' ARG . 91.6 t -72.48 -49.33 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 64.52 111.098 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.67 -49.24 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 52.04 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.76 -41.87 71.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.3 110.876 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.91 -52.27 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.122 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -68.18 -50.96 50.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 50.25 111.134 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -52.09 -51.34 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.97 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -66.95 -38.96 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 71.03 110.838 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.17 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.472 ' O ' HD13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -86.44 -26.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 72.13 111.168 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -73.73 -27.56 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -108.51 -31.36 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.838 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 79.0 mt -134.18 80.97 51.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 74.31 111.173 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 100.15 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 74.1 112.323 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -174.53 71.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.91 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -177.92 -35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.821 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 20.3 pt -51.77 -30.01 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 62.21 111.129 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 41.0 mmt-85 -64.24 -62.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.845 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -58.74 -40.33 83.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.94 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.15 -53.88 30.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 31.13 112.508 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.7 -46.06 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 61.11 110.92 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.51 -36.11 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.13 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -65.04 -35.76 82.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.36 15.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.43 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 855' ' ' LEU . 5.4 tp -108.1 -46.82 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.953 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 65.31 110.931 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.95 0.405 . . . . 72.34 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 20.5 mt -51.93 -57.7 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.05 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -52.24 -44.71 65.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.54 111.087 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.43 -54.22 46.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 64.5 110.917 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.94 -49.7 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.111 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -57.43 -52.01 67.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.916 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -52.73 -46.85 67.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -61.99 -56.73 16.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.31 -59.96 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.883 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -52.57 -52.76 53.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 62.21 110.898 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 46.9 t -54.21 -42.05 69.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 70.35 110.82 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.63 -52.7 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.22 110.901 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.81 -58.04 10.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.876 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 64.2 mt -52.89 -50.4 63.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -58.42 -41.4 84.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.1 110.898 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.9 t -59.22 -56.47 21.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 70.35 110.805 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.57 -55.13 38.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 52.53 110.9 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -53.38 -40.36 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.85 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -62.53 -58.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.828 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 56.6 mt -49.89 -50.19 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 62.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.895 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.95 -56.62 15.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.21 110.87 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.833 HD12 HD11 ' A' ' 777' ' ' ILE . 11.6 tp -60.49 -49.2 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.941 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.2 -31.55 70.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 72.2 110.91 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 776' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 777' ' ' ILE . 3.4 tt -69.16 -57.49 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.914 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 777' ' ' ILE . . . . . 0.833 HD11 HD12 ' A' ' 774' ' ' LEU . 22.3 pt -58.02 -34.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 73.33 111.134 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 774' ' ' LEU . 53.1 t -67.94 -63.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.112 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 10.9 t -55.36 -29.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.074 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -69.61 -59.44 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 73.32 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.86 -33.66 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.107 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 778' ' ' VAL . 83.9 t -73.8 -37.99 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 70.13 111.145 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -75.98 -28.92 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.919 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.06 -42.92 20.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.964 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.75 -25.54 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.96 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -56.81 -44.98 91.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 62.21 112.462 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -85.91 -25.79 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 74.3 110.902 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -90.55 11.48 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.44 110.881 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -53.78 -26.72 33.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 75.4 112.494 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -59.61 -58.99 6.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.755 0.312 . . . . 74.54 110.896 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -54.25 -53.71 49.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 64.05 110.902 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.22 -54.21 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.079 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.72 -52.34 49.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 70.13 110.945 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -54.12 -41.04 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.899 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.3 -54.45 43.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.95 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -53.35 -45.36 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 73.55 110.919 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -66.0 -51.18 60.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.927 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -55.14 -56.43 20.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 75.31 110.884 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 -42.11 85.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.945 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tt -53.85 -58.42 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.939 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -59.23 -38.61 80.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 52.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -60.33 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.922 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.944 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 3.7 t -51.85 -61.17 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.21 110.892 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.16 -33.95 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 64.45 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.16 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.898 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.02 -35.52 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 63.41 110.915 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -59.47 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 54.23 110.893 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.18 -44.34 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 28.4 t -63.5 -51.42 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.13 110.843 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.45 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.129 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.0 -37.36 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 64.23 111.111 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.64 -36.31 82.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 62.54 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 814' ' ' LEU . 0.7 OUTLIER -70.76 -43.38 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.899 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.22 -51.51 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 73.44 110.944 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.86 -43.28 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 61.22 111.098 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.65 -40.72 97.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.53 111.169 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.29 -33.45 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 52.13 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.5 mm -72.24 -34.39 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.15 111.108 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.14 -25.88 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.114 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.147 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.7 -24.72 64.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.25 111.124 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -75.44 -6.41 49.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 54.31 110.902 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -95.64 162.83 23.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 74.02 112.473 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.27 -17.45 45.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 74.34 111.139 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -57.02 -37.22 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -64.43 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.46 -46.19 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.572 HG22 ' OE1' ' A' ' 834' ' ' GLN . 51.3 mt -65.68 -34.84 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.7 -49.88 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.922 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -34.45 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.36 -59.21 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.94 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 834' ' ' GLN . . . . . 0.572 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.3 pt20 -62.39 -43.17 99.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 53.1 110.885 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.71 18.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 51.34 111.101 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.29 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 53.21 111.053 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -53.06 -50.68 63.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.935 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -47.86 -57.71 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 843' ' ' ILE . . . -52.91 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.04 111.079 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 23.2 mt -51.68 -25.33 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 65.3 111.102 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.33 -55.75 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.833 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 839' ' ' ALA . 6.5 p80 -90.83 8.19 36.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.846 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.629 HD12 ' HB1' ' A' ' 839' ' ' ALA . 31.5 mt -104.95 130.86 22.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 73.35 111.127 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 79.39 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.655 2.236 . . . . 71.31 112.341 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -172.11 151.1 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.881 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -122.65 85.12 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.903 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 46.4 mm -82.9 -26.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.151 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -27.46 66.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 72.5 110.84 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -52.04 -56.09 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 64.25 110.918 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.64 61.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 75.12 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.11 -44.21 74.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 74.24 110.898 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -83.44 -31.31 26.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.45 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -60.19 -38.61 83.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.64 -30.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.23 111.1 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.519 ' HB3' HD23 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -61.94 -62.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.941 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 855' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.966 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.893 0.378 . . . . 74.32 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 753' ' ' LEU . . . . . 0.823 HD13 HD11 ' A' ' 756' ' ' ILE . 4.4 mm? -54.78 -45.35 74.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 43.14 110.895 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.51 -32.67 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 63.53 111.134 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.42 -54.7 11.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.881 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 756' ' ' ILE . . . . . 0.823 HD11 HD13 ' A' ' 753' ' ' LEU . 20.1 pt -60.06 -35.38 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 73.24 111.093 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -70.75 -46.28 63.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.921 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.82 -39.57 89.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.873 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -69.4 -54.69 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.02 -52.43 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 60.1 110.882 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -60.71 -54.12 49.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.865 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.2 t -52.16 -45.17 64.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.893 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.49 -42.23 98.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 62.52 110.937 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 7.6 t -59.93 -62.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 4.8 tp -55.24 -52.27 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 53.5 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -54.33 -45.49 72.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.14 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 4.9 m -57.92 -53.01 63.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 73.2 110.865 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -55.4 -60.79 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.93 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -53.16 -40.29 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 71.53 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.57 -57.95 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.863 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.06 -49.49 51.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.922 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.1 -31.59 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.851 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -63.62 -56.83 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 60.15 110.874 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -61.81 -45.44 93.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 60.13 110.902 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 779' ' ' THR . 70.3 mt -63.08 -31.22 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 72.24 110.876 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 776' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 777' ' ' ILE . 4.8 tt -70.75 -54.48 11.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 777' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 781' ' ' ILE . 5.9 tp -59.97 -36.67 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.138 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 782' ' ' VAL . 61.3 t -68.73 -63.02 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 72.15 111.123 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 775' ' ' LEU . 7.4 t -55.59 -28.47 55.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.164 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -71.29 -57.71 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 781' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 777' ' ' ILE . 82.8 mt -60.49 -37.54 75.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 72.42 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 778' ' ' VAL . 97.2 t -68.8 -46.33 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.23 111.177 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -64.91 -39.91 94.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.858 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.0 tp -67.42 -45.53 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 70.43 110.924 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.03 -1.26 47.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.894 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.33 -27.9 26.02 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 71.1 112.489 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -84.85 -35.87 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 65.14 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.43 11.34 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.831 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -73.24 -16.7 78.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 63.2 112.491 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -58.96 -62.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 64.34 110.905 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.77 -48.58 63.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 71.34 110.864 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.83 52.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 54.23 111.114 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 15.2 mt -50.54 -56.45 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 72.31 110.94 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -51.95 -44.8 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 64.02 110.908 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -54.74 -62.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 63.21 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -47.39 -47.19 26.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 74.31 110.926 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -62.65 -39.68 94.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.908 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -66.33 -56.46 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 60.11 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 36.6 mt -52.0 -49.58 63.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.88 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -57.58 11.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.919 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.11 -33.49 65.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.929 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -60.31 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.94 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -58.84 -46.79 86.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 54.35 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.7 t -52.49 -60.99 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 35.01 110.843 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.25 -33.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 63.14 110.938 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.03 -50.21 74.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.01 -35.6 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -59.85 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.885 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.81 -44.41 81.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.882 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 34.9 t -63.4 -51.72 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.842 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.12 -52.53 42.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 54.21 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.09 -37.18 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 55.13 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -66.82 -35.77 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.91 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.22 -43.3 67.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 70.53 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.48 -50.8 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.932 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -58.15 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 70.15 110.865 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.17 53.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.13 111.091 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 818' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.6 m -63.07 -41.52 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.167 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.48 93.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 62.44 111.095 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.69 -35.6 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.54 111.161 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.55 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.21 111.115 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 828' ' ' ARG . 72.8 t -86.51 -28.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.119 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -63.19 -23.92 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.085 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -80.03 -5.81 56.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 62.33 110.817 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -124.99 -177.9 15.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 64.11 112.501 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 826' ' ' THR . . . . . 0.452 HG22 HG12 ' A' ' 830' ' ' ILE . 2.9 m -80.97 -17.56 50.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 72.04 111.143 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.563 ' HB3' HG13 ' A' ' 822' ' ' VAL . 21.6 t0 -51.65 -37.19 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.861 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.612 ' HB2' HG12 ' A' ' 822' ' ' VAL . 9.0 tpt180 -63.11 -60.2 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.835 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 99.0 t -52.69 -45.52 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.154 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 826' ' ' THR . 43.2 mm -65.48 -39.83 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.134 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.2 -52.37 65.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.85 -35.46 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 61.02 111.135 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.71 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' GLN . . . . . 0.445 ' OE1' HG22 ' A' ' 830' ' ' ILE . 10.0 pt20 -63.11 -44.75 94.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 43.31 110.88 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.43 -51.99 65.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.088 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.84 98.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 43.12 111.098 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.78 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.919 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -43.12 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 71.33 110.865 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.93 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 54.35 111.117 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.7 tt -71.63 -11.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 71.4 111.184 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -78.94 -33.97 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -110.33 -6.93 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.498 HD13 ' N ' ' A' ' 844' ' ' PRO . 0.0 OUTLIER -49.61 130.71 19.7 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.616 0.722 . . . . 74.04 111.08 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 844' ' ' PRO . . . . . 0.498 ' N ' HD13 ' A' ' 843' ' ' ILE . 53.8 Cg_endo -69.79 124.19 10.83 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.651 2.234 . . . . 72.52 112.284 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -52.41 103.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 72.33 110.892 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -175.29 93.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 71.35 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' ILE . . . . . 0.476 HD12 ' H ' ' A' ' 847' ' ' ILE . 5.3 mp -75.09 -26.86 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 53.54 111.16 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -52.14 -57.25 10.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.864 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -53.36 -38.92 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.952 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.67 -45.88 72.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 33.53 112.514 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 851' ' ' LEU . 0.5 OUTLIER -60.19 -42.69 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 74.24 110.943 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.22 -28.92 57.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.34 110.816 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -67.72 -44.78 76.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.11 110.882 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 51.4 pt -71.24 -26.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 63.22 111.155 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 855' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -61.53 -60.77 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 63.0 110.894 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 855' ' ' LEU . 4.3 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.895 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.948 0.404 . . . . 64.32 110.836 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 3.6 mp -51.81 -56.2 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 73.11 110.912 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.13 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 70.04 111.069 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.39 -54.52 42.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 70.51 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 47.0 mm -53.71 -52.86 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 71.13 111.116 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -58.09 -44.33 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 65.03 110.902 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -53.67 -54.85 32.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 62.12 110.827 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -66.53 -37.73 85.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.12 110.848 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.92 -58.79 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 63.42 110.912 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -63.52 -38.86 92.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.905 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 35.4 t -61.34 -48.68 80.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 63.15 110.846 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.65 -54.39 36.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.93 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.8 t -56.03 -54.08 49.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.907 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 765' ' ' LEU . 8.1 tt -57.78 -37.83 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.33 110.937 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.72 -55.64 30.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.896 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 3.3 t -57.55 -54.63 44.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.845 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -55.42 -52.78 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 60.01 110.944 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -53.69 -40.59 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 65.12 110.876 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.73 -57.85 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.856 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.73 -49.01 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.924 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -66.57 -29.59 69.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.882 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -68.15 -59.01 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.819 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 778' ' ' VAL . 17.5 tp -60.29 -43.74 96.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 62.13 110.902 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 779' ' ' THR . 25.0 tp -62.47 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.913 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 776' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 777' ' ' ILE . 6.5 tt -61.45 -54.26 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.932 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 777' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 776' ' ' LEU . 41.9 mm -55.82 -56.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.142 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 782' ' ' VAL . 87.4 t -51.63 -62.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 779' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 775' ' ' LEU . 69.3 p -51.8 -40.43 60.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.13 111.162 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -58.58 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.0 mm -53.46 -42.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 51.11 111.106 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 778' ' ' VAL . 86.3 t -58.77 -46.73 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.03 111.153 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.12 -54.19 19.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.9 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.62 -29.72 59.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.921 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 788' ' ' ARG . 27.7 tp -76.71 -25.68 53.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.02 110.926 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.31 -52.5 36.28 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.775 -0.726 . . . . 64.23 112.471 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -82.03 -26.23 33.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 75.32 110.858 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' ARG . . . . . 0.515 ' HB3' HD12 ' A' ' 785' ' ' LEU . 10.9 ttm180 -56.64 -25.92 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.828 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.95 -30.13 36.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.784 -0.722 . . . . 75.24 112.438 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -71.05 -61.84 1.61 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.782 0.325 . . . . 72.42 110.935 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.14 -53.89 50.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.839 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.06 -54.85 21.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 34.24 111.083 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 17.2 mt -51.42 -54.47 26.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.907 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -41.3 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 65.43 110.899 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -61.42 -53.71 52.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 62.54 110.946 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -52.59 -45.51 66.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.855 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -67.31 -53.13 32.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 74.23 110.952 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -51.6 -53.86 33.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.931 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.887 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 800' ' ' LEU . 3.1 tm? -57.06 -54.19 49.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 64.14 110.934 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -61.72 -37.34 83.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.908 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -60.14 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.942 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -58.67 -47.47 84.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -51.65 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.51 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -58.35 -33.73 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.55 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.28 -50.38 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.82 -35.11 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.52 -59.83 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 64.04 110.886 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.53 -44.8 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.55 110.896 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.5 t -63.15 -51.2 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.867 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.22 37.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.088 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.09 -37.91 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 61.53 111.139 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.84 -37.26 85.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.919 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.21 -44.83 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.963 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.73 -53.57 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.878 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -48.3 -42.77 31.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 53.31 111.072 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 53.6 m -60.01 -44.75 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 72.53 111.157 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.583 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.1 -28.35 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.096 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.25 -38.21 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 54.04 111.19 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -81.89 -26.41 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 52.31 111.108 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 827' ' ' ASP . 0.9 OUTLIER -85.41 -26.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 72.31 111.157 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -70.07 -15.22 62.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 61.51 111.08 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -68.34 -12.31 60.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . 112.46 -13.46 25.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.728 -0.749 . . . . 62.23 112.468 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.6 t -61.78 -17.48 56.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 71.2 111.116 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.784 ' HB2' HG22 ' A' ' 822' ' ' VAL . 35.4 t0 -51.58 -33.46 32.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 64.1 110.85 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 832' ' ' VAL . 0.0 OUTLIER -67.01 -58.13 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 64.41 110.858 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.66 -41.74 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 70.2 111.103 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.17 -45.51 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 61.33 111.12 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.28 -37.22 74.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.53 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 832' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 828' ' ' ARG . 93.9 t -74.11 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.07 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.53 -40.67 60.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.8 -55.46 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.909 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.52 -51.86 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 65.12 111.122 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.2 34.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 51.51 111.08 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.97 -58.1 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 62.31 110.933 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -54.92 -39.25 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.862 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.31 -60.58 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 44.4 111.073 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.471 ' O ' HD13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -57.67 -26.26 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.067 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.77 -30.92 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.835 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -77.49 -31.97 53.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.856 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.751 HD12 ' HG3' ' A' ' 849' ' ' GLN . 25.2 pt -79.96 145.28 61.06 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 74.11 111.139 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -171.66 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 73.4 112.361 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.34 70.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 64.14 110.845 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -131.92 160.31 36.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 72.52 110.923 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 11.8 tt -52.68 -36.3 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 73.13 111.11 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -55.33 -26.52 41.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.886 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 849' ' ' GLN . . . . . 0.751 ' HG3' HD12 ' A' ' 843' ' ' ILE . 8.1 tt0 -51.91 -45.99 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.41 110.924 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.53 -46.18 63.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 54.5 112.504 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 32.7 tp -52.39 -47.6 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 72.44 110.926 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.55 -37.18 57.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 62.3 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 853' ' ' ARG . . . . . 0.581 ' O ' HD23 ' A' ' 856' ' ' LEU . 0.6 OUTLIER -52.0 -49.81 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 71.2 110.865 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.27 -18.18 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 60.23 111.097 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 11.3 mt -93.91 19.15 9.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 70.34 110.946 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 853' ' ' ARG . 4.5 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.15 110.913 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.885 0.374 . . . . 71.12 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 16.6 tp -53.46 -43.51 68.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 74.03 110.894 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -69.68 -26.68 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 64.12 111.132 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.44 -56.24 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.932 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 756' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 757' ' ' TRP . 2.3 pp -62.3 -40.23 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.02 111.105 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 757' ' ' TRP . . . . . 0.457 ' N ' HD12 ' A' ' 756' ' ' ILE . 5.9 t-105 -66.34 -48.09 71.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.92 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -55.27 -48.78 73.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.913 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -68.84 -32.85 72.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.893 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 756' ' ' ILE . 0.6 OUTLIER -60.86 -51.95 67.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 63.32 110.912 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -69.58 -46.73 65.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.864 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 1.7 t -57.29 -53.94 52.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.54 110.841 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.412 ' C ' HD23 ' A' ' 763' ' ' LEU . 10.3 tt -62.04 -52.23 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 35.2 110.901 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 39.8 t -53.59 -40.26 65.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 71.04 110.881 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.94 -52.28 51.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.91 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -52.88 -57.46 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 71.15 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 17.3 t -56.81 -48.08 78.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.833 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -56.82 -42.9 80.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.04 110.937 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 45.53 110.905 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.07 -57.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 60.13 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -48.52 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.891 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.63 -28.39 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.889 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -53.28 24.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 62.41 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 774' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 778' ' ' VAL . 0.2 OUTLIER -64.7 -44.04 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 54.11 110.923 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -42.27 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 42.04 110.899 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.49 -52.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.84 -57.94 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.104 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 782' ' ' VAL . 94.1 t -52.57 -60.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 95.5 m -51.51 -47.36 63.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 44.32 111.147 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -51.91 -52.89 46.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.894 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.74 -46.65 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.1 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 778' ' ' VAL . 98.3 t -50.83 -40.51 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 71.32 111.131 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -79.68 -47.24 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 70.15 110.871 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.49 -18.4 39.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 60.23 110.938 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 18.3 tp -92.66 -59.6 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.938 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -87.7 -55.8 2.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 73.14 112.449 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -23.19 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 52.14 110.847 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 788' ' ' ARG . . . . . 0.646 HH11 ' HB2' ' A' ' 792' ' ' ALA . 0.1 OUTLIER -49.39 -33.55 14.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.853 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.68 -41.59 57.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 72.14 112.471 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -81.27 -29.79 34.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.717 0.294 . . . . 74.11 110.903 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.62 -58.24 8.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 72.33 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ALA . . . . . 0.646 ' HB2' HH11 ' A' ' 788' ' ' ARG . . . -56.32 -55.0 38.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 40.3 111.06 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 14.4 mt -49.55 -57.95 6.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 71.1 110.917 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.89 -46.2 60.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.902 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -52.78 -62.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.944 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -48.14 -42.31 29.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 72.35 110.926 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -66.03 -39.43 90.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.932 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -64.76 -56.65 12.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 60.41 110.925 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.27 -47.21 75.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 54.33 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.25 -57.13 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.897 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.12 -34.55 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.902 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -55.77 -48.74 74.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 72.12 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.9 t -51.59 -61.13 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 62.03 110.847 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.02 -28.27 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.53 110.952 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -37.88 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.906 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.78 -39.44 64.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 812' ' ' VAL . 1.0 OUTLIER -73.92 -38.74 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 60.41 110.854 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.76 -44.48 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 55.22 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 17.0 t -68.99 -45.84 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 53.12 110.881 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 74.44 111.099 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 808' ' ' LYS . 92.4 t -65.52 -38.21 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 73.2 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -66.42 -35.31 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.905 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.7 tp -71.61 -44.02 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 41.23 110.905 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.09 -51.15 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 61.31 110.936 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -60.27 -58.55 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.886 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.93 -43.01 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.04 111.141 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.86 -40.82 98.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.02 111.181 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.11 -33.51 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.45 111.079 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.29 -34.39 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 63.45 111.158 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.73 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.063 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.64 -26.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.119 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -86.25 -25.01 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.11 111.135 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -96.83 17.13 17.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.888 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -52.41 -78.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 43.53 112.503 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.6 m -70.78 -17.55 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 72.35 111.099 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -51.73 -35.28 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 53.54 110.857 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -64.92 -58.3 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 73.03 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.31 -39.26 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.12 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.2 mm -70.69 -35.43 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 73.35 111.14 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -68.02 -44.25 76.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 63.52 110.876 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.54 -39.5 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.32 111.103 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.5 tp -71.38 -42.95 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.04 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -65.29 -50.03 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.53 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.9 -50.43 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.148 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.6 -56.87 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 837' ' ' TYR . . . . . 0.495 ' HA ' HD12 ' A' ' 840' ' ' ILE . 12.5 t80 -58.03 -38.91 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.958 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -54.35 47.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 72.11 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.3 96.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 64.24 111.102 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 837' ' ' TYR . 19.3 mt -62.1 -37.17 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.44 111.078 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -80.87 -27.42 36.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.927 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -75.62 -32.07 60.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 72.02 110.855 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.432 HD13 ' HE ' ' A' ' 846' ' ' ARG . 12.1 tt -83.32 131.2 53.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 74.05 111.164 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -48.89 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.709 2.273 . . . . 60.33 112.304 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.03 78.33 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 71.31 110.864 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 846' ' ' ARG . . . . . 0.432 ' HE ' HD13 ' A' ' 843' ' ' ILE . 23.8 ttm-85 -174.67 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 6.9 tp -51.81 -30.57 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 42.02 111.113 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -63.22 -59.3 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 52.41 110.851 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -52.54 -39.56 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.53 110.924 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.22 -50.02 29.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 21.52 112.479 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 851' ' ' LEU . 0.5 OUTLIER -55.49 -37.65 68.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 50.32 110.897 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -82.92 -29.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.14 110.869 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -63.6 -47.93 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.21 110.887 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.9 -25.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.161 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -38.63 91.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 65.12 110.884 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 50.02 110.932 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.9 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.955 0.407 . . . . 73.209999999999994 110.925 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.81 -38.26 64.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 52.439999999999998 110.826 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -64.21 -57.99 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.239999999999995 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 19.7 mt -50.85 -47.66 60.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -69.2 -28.8 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 55.329999999999998 110.849 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -69.02 -56.91 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 778' ' ' VAL . 69.0 mt -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 779' ' ' THR . 30.0 mt -63.0 -46.26 88.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.902 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.47 -50.85 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 70.319999999999993 110.928 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.3 mt -55.32 -58.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 111.093 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 782' ' ' VAL . 98.1 t -52.13 -58.61 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 54.43 111.137 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 775' ' ' LEU . 46.5 p -51.71 -49.2 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 71.530000000000001 111.144 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -52.17 -53.1 47.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.019999999999996 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.35 -36.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 111.128 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 778' ' ' VAL . 73.7 t -62.38 -45.17 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 111.133 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.885 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.825 0.345 . . . . 52.140000000000001 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -63.88 -33.74 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.32 -58.54 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 63.539999999999999 110.932 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -59.94 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 73.409999999999997 110.909 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.9 t -51.96 -61.3 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.109999999999999 110.858 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.41 -32.21 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.209999999999994 110.916 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -62.89 -48.78 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.26 -34.87 75.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.030000000000001 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 812' ' ' VAL . 34.0 ttpt -69.14 -57.77 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.230000000000004 110.927 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.88 -45.09 86.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.871 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 14.9 t -63.16 -51.09 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 74.150000000000006 110.915 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.43 47.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 65.430000000000007 111.099 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 808' ' ' LYS . 58.7 t -63.06 -37.22 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 71.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.87 -35.89 81.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.86 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.13 -43.18 68.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.040000000000006 110.922 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.55 -50.83 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -60.63 -58.23 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 55.009999999999998 110.864 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.33 -43.25 53.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 55.329999999999998 111.127 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.9 m -63.04 -41.18 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.349999999999994 111.152 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 61.530000000000001 111.076 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.59 -35.6 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 61.409999999999997 111.138 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.1 -28.11 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 42.119999999999997 111.092 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 818' ' ' THR . 69.9 t -86.51 -25.78 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 65.299999999999997 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 62.149999999999999 111.102 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.798 0.332 . . . . 75.409999999999997 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.1 -45.58 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.893 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 832' ' ' VAL . 18.3 tpp180 -55.33 -54.4 44.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 71.230000000000004 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.45 -41.46 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 54.409999999999997 111.119 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.33 -51.14 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 63.140000000000001 111.148 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 64.150000000000006 110.893 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 828' ' ' ARG . 71.3 t -71.9 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 73.109999999999999 111.13 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.74 -44.66 63.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.209999999999994 110.872 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.49 -54.7 28.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.329999999999998 110.885 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.27 -55.26 29.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 71.150000000000006 111.124 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -53.77 -60.07 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 111.082 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -54.36 -32.72 57.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 64.299999999999997 110.903 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -52.39 60.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 75.200000000000003 110.86 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.01 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.010000000000005 111.099 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 40.4 mm -73.26 -36.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 111.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -69.47 -48.06 61.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.91 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 61.450000000000003 110.865 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.775 0.321 . . . . 74.140000000000001 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -52.06 -43.73 63.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.936 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.1 -49.14 49.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.040000000000006 112.531 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 37.8 tp -51.97 -46.88 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 52.530000000000001 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -74.05 -33.75 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -63.3 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 71.200000000000003 110.87 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -92.98 15.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.209999999999994 111.173 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 110.892 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.8 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.87 0.367 . . . . 74.129999999999995 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.97 -39.71 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 73.209999999999994 110.857 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -64.55 -58.06 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 61.030000000000001 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.84 -47.39 60.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.030000000000001 110.919 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -69.67 -28.76 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.129999999999995 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.76 -57.28 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 71.430000000000007 110.915 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -64.85 -41.01 96.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.872 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 779' ' ' THR . 31.0 tp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 53.030000000000001 110.946 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.09 -51.77 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.400000000000006 110.936 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.2 mt -54.23 -57.49 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 111.151 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 782' ' ' VAL . 98.0 t -53.69 -56.96 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 61.109999999999999 111.147 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 775' ' ' LEU . 43.2 p -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.077 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -62.53 -51.93 65.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 70.319999999999993 110.853 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.15 -40.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 778' ' ' VAL . 60.0 t -64.17 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 111.154 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 63.32 110.912 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.806 0.336 . . . . 64.310000000000002 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -58.18 -33.13 68.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 110.899 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -60.07 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 72.219999999999999 110.896 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -58.13 -46.85 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 61.219999999999999 110.942 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -52.11 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 63.049999999999997 110.899 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -58.35 -33.86 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.17 74.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 64.140000000000001 110.884 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.86 -35.87 79.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 65.420000000000002 110.885 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -66.84 -59.94 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 52.509999999999998 110.897 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.55 -44.5 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 72.329999999999998 110.844 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.2 t -63.49 -51.18 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 61.109999999999999 110.86 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.32 -52.79 42.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 35.299999999999997 111.139 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.84 -37.32 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.150000000000006 111.092 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.74 -35.85 81.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 70.420000000000002 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 814' ' ' LEU . 4.2 tt -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.898 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.43 -50.88 68.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 110.937 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.57 -58.24 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.540000000000006 110.922 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.28 -43.12 53.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 60.340000000000003 111.07 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.8 m -63.05 -41.57 99.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 65.329999999999998 111.116 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.53 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 111.072 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.7 -35.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 52.100000000000001 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.31 45.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 53.439999999999998 111.082 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 818' ' ' THR . 72.5 t -86.48 -31.38 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 71.230000000000004 111.118 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 60.409999999999997 111.109 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . 0.479 HG22 HD11 ' A' ' 830' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.829 0.347 . . . . 74.010000000000005 111.177 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -53.62 -32.82 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.239999999999995 110.909 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 832' ' ' VAL . 59.2 mtt180 -67.23 -55.81 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.150000000000006 110.83 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 822' ' ' VAL . 98.3 t -56.85 -41.04 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.230000000000004 111.112 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 826' ' ' THR . 17.9 mt -67.6 -47.98 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.128 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.12 -35.9 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 828' ' ' ARG . 86.1 t -75.43 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 74.019999999999996 111.141 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.7 tp -51.66 -37.12 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 110.922 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.77 -55.97 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 64.340000000000003 110.91 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.07 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.099999999999994 111.125 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -70.53 -53.85 14.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -52.16 -50.38 61.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.129999999999995 110.909 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -65.3 -46.05 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 75.349999999999994 110.852 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.9 -53.19 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 72.209999999999994 111.092 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 15.6 tt -70.94 -30.55 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.230000000000004 111.129 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.24 -26.33 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 45.409999999999997 110.862 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.834 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.73 0.3 . . . . 71.430000000000007 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -36.36 51.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.52 -53.96 28.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 74.540000000000006 112.495 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.84 -39.08 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 70.530000000000001 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -74.29 -31.13 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.109999999999999 110.836 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -69.4 -39.98 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.439999999999998 110.851 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 25.7 pt -92.29 15.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 855' ' ' LEU . 5.1 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.549999999999997 110.949 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.939 0.4 . . . . 74.530000000000001 110.945 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.68 -47.85 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 74.140000000000001 110.829 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.96 -57.99 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.340000000000003 110.849 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.2 mp -49.45 -52.34 29.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 64.299999999999997 110.922 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -61.63 -33.46 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 73.150000000000006 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -58.14 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.219999999999999 110.897 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -59.1 -41.93 89.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.109999999999999 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 775' ' ' LEU . 0.3 OUTLIER -62.2 -35.53 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 110.874 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 776' ' ' LEU . 0.7 OUTLIER -69.29 -59.6 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 61.409999999999997 110.914 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 778' ' ' VAL . 4.7 tp -52.12 -43.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.049999999999997 111.137 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 782' ' ' VAL . 65.9 t -63.93 -63.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 74.140000000000001 111.112 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.3 m -51.52 -34.34 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -58.02 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 110.888 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.3 mm -57.92 -30.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 111.119 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 778' ' ' VAL . 95.3 t -68.3 -55.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 62.32 111.134 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.219999999999999 110.898 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.736 0.303 . . . . 75.540000000000006 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.55 -35.48 76.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 55.039999999999999 110.921 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -62.54 -60.25 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.888 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -56.03 -49.38 73.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -61.09 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 110.85 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 53.109999999999999 110.934 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -50.14 73.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 72.040000000000006 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.33 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.150000000000006 110.985 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -68.05 -58.88 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 73.329999999999998 110.94 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.22 -44.73 83.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 61.219999999999999 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 48.2 t -63.34 -51.2 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.851 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.62 44.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 60.32 111.086 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.0 -37.25 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.030000000000001 111.162 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.78 -35.76 80.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 74.200000000000003 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.25 -43.27 67.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 72.439999999999998 110.923 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.45 -50.88 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 60.140000000000001 110.964 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.75 -58.18 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.450000000000003 110.877 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.04 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.340000000000003 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 822' ' ' VAL . 47.0 m -63.07 -42.02 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 50.119999999999997 111.16 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.05 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 33.020000000000003 111.092 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -67.86 -36.39 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 72.420000000000002 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.05 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 74.129999999999995 111.061 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.632 HG13 ' HG2' ' A' ' 828' ' ' ARG . 78.2 t -86.4 -26.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 61.539999999999999 111.15 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 70.329999999999998 111.122 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 61.109999999999999 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -52.09 -46.52 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.409999999999997 110.923 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.632 ' HG2' HG13 ' A' ' 822' ' ' VAL . 10.5 tpt180 -59.7 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.349999999999994 110.846 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.3 -61.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 111.185 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.75 -31.82 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 111.141 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -62.79 -45.15 94.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.340000000000003 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.24 -39.24 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.420000000000002 111.122 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 833' ' ' LEU . 0.6 OUTLIER -63.47 -46.46 86.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 62.009999999999998 110.877 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -73.07 -33.61 65.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.319999999999993 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.61 -49.43 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 55.219999999999999 111.113 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.78 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 43.439999999999998 111.049 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.2 -52.05 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.95 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -64.42 -42.66 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.872 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.11 -58.11 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 31.350000000000001 111.116 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.5 tp -66.99 -30.64 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 60.450000000000003 111.135 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -68.46 -29.38 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.150000000000006 110.849 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.775 0.322 . . . . 72.230000000000004 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -51.96 -49.52 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 75.099999999999994 110.886 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.38 -42.86 81.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 73.310000000000002 112.506 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 57.6 mt -52.84 -48.76 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 65.120000000000005 110.933 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.42 -29.51 47.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.883 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -60.95 -38.96 87.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.310000000000002 110.86 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.2 15.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.109999999999999 111.128 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 64.099999999999994 110.904 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.881 0.372 . . . . 74.239999999999995 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -52.16 -38.62 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.030000000000001 110.88 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -65.65 -56.54 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 70.540000000000006 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 52.0 mt -49.98 -49.56 50.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 53.409999999999997 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -67.37 -32.31 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.420000000000002 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -63.68 -58.82 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.209999999999994 110.893 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 778' ' ' VAL . 25.8 tp -61.45 -44.96 96.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 64.239999999999995 110.925 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 779' ' ' THR . 9.0 tp -62.14 -32.24 72.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.933 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.64 -58.6 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.340000000000003 110.899 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 781' ' ' ILE . 5.2 tp -54.34 -40.61 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 64.150000000000006 111.102 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 782' ' ' VAL . 78.0 t -65.93 -58.1 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 111.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 775' ' ' LEU . 39.9 p -55.29 -33.89 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 111.135 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -58.0 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.209999999999994 110.847 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 777' ' ' ILE . 39.3 mt -54.34 -37.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.349999999999994 111.097 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 778' ' ' VAL . 94.2 t -66.72 -55.36 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 64.5 111.117 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 61.409999999999997 110.856 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.729 0.299 . . . . 74.340000000000003 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.85 -37.13 83.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 64.450000000000003 110.966 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.61 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 75.040000000000006 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -56.63 -47.47 79.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 73.519999999999996 110.958 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.7 t -50.9 -61.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 62.329999999999998 110.882 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 63.009999999999998 110.91 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.99 -45.97 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.89 -35.97 69.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.904 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . 0.471 ' O ' HG23 ' A' ' 812' ' ' VAL . 23.7 ttpp -71.61 -52.69 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.935 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.69 -45.47 94.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.409999999999997 110.858 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 20.6 t -64.15 -50.38 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.833 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.92 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 74.099999999999994 111.087 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 808' ' ' LYS . 64.3 t -63.6 -37.41 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 111.159 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -66.81 -35.63 80.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 74.430000000000007 110.911 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.33 -43.38 67.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 53.520000000000003 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.45 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.340000000000003 110.932 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.78 -58.18 9.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 62.130000000000003 110.903 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.2 53.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 52.039999999999999 111.085 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.5 m -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.219999999999999 111.15 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.19 93.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 70.239999999999995 111.074 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.94 -35.48 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 54.509999999999998 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.27 -27.66 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 70.030000000000001 111.098 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 818' ' ' THR . 73.3 t -86.53 -27.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 73.25 111.153 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 71.140000000000001 111.037 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . 0.473 HG22 HG13 ' A' ' 830' ' ' ILE . 2.4 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.848 0.356 . . . . 74.400000000000006 111.189 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.89 -36.05 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.901 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -64.38 -60.17 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.5 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.41 -46.19 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.340000000000003 111.153 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.576 HG22 ' OE1' ' A' ' 834' ' ' GLN . 63.5 mt -65.88 -34.02 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.209999999999994 111.132 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.33 -49.72 70.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.09 -34.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.299999999999997 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 833' ' ' LEU . 13.3 tp -62.64 -58.67 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.219999999999999 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . 0.576 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.9 pt20 -63.04 -41.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.120000000000005 110.877 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.9 -55.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 64.219999999999999 111.105 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.72 -54.67 38.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.140000000000001 111.092 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 840' ' ' ILE . 11.9 t80 -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 74.299999999999997 110.91 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -56.69 -53.04 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.439999999999998 110.895 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 53.439999999999998 111.102 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 837' ' ' TYR . 19.9 mt -59.33 -37.15 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.540000000000006 111.123 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -83.11 -26.18 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 54.299999999999997 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 63.210000000000001 110.846 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 24.9 ttp85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.737 0.303 . . . . 75.140000000000001 110.835 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -52.23 -52.0 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.109999999999999 110.911 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.72 -43.99 82.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 61.439999999999998 112.495 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' A' ' 855' ' ' LEU . 0.4 OUTLIER -51.69 -49.06 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 65.109999999999999 110.908 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -78.19 -34.63 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 62.340000000000003 110.864 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -52.39 -49.82 63.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.845 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 39.2 pt -76.9 -20.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 73.040000000000006 111.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . 0.441 HD12 ' CD1' ' A' ' 851' ' ' LEU . 9.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 64.420000000000002 110.877 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.934 0.397 . . . . 64.430000000000007 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -43.62 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 74.530000000000001 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -60.79 -57.92 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.83 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.12 -52.01 38.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.540000000000006 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -61.43 -32.19 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.530000000000001 110.844 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -66.06 -59.11 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.32 110.923 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.6 mm? -55.21 -46.74 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.319999999999993 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.94 -51.65 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 110.925 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 776' ' ' LEU . 0.6 OUTLIER -53.98 -47.81 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 110.91 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.59 -39.16 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.439999999999998 111.138 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 774' ' ' LEU . 94.0 t -62.56 -62.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 6.3 t -54.12 -37.85 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 70.030000000000001 111.19 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -60.9 -56.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.829 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 32.4 mt -57.14 -40.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 71.519999999999996 111.128 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 778' ' ' VAL . 64.3 t -60.08 -46.53 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 54.25 111.136 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 61.420000000000002 110.862 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.748 0.309 . . . . 72.25 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.876 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.15 -59.93 4.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.929 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -58.92 -47.42 85.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 75.109999999999999 110.913 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.89 -61.16 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.120000000000005 110.848 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 74.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.47 -50.75 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.867 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.7 -35.5 78.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.51 -60.02 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.049999999999997 110.854 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -56.78 -44.29 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.299999999999997 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 16.1 t -63.51 -51.58 64.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 65.540000000000006 110.811 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.27 -52.68 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.239999999999995 111.125 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.79 -37.32 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.099999999999994 111.156 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.67 -36.23 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.6 tp -70.62 -43.55 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.931 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.14 -51.53 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 53.109999999999999 110.959 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -59.65 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 110.903 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.9 -43.29 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 75.129999999999995 111.097 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.8 m -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 42.210000000000001 111.119 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.564 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.33 -33.41 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 63.149999999999999 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.22 -34.43 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.120000000000005 111.136 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.07 -25.89 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 52.130000000000003 111.126 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.612 HG22 ' CB ' ' A' ' 827' ' ' ASP . 1.4 p -86.6 -26.35 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 111.107 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 55.409999999999997 111.075 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.767 0.318 . . . . 42.420000000000002 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . 0.612 ' CB ' HG22 ' A' ' 822' ' ' VAL . 13.7 t70 -52.95 -35.96 59.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 45.299999999999997 110.895 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 832' ' ' VAL . 5.3 tmm_? -64.55 -60.05 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 74.230000000000004 110.878 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.66 -39.96 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 70.129999999999995 111.143 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 54.8 mt -69.06 -55.92 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 53.109999999999999 111.165 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -51.9 -39.68 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 828' ' ' ARG . 88.9 t -69.91 -50.21 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 70.319999999999993 111.154 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.85 -53.94 34.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 74.450000000000003 110.893 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.09 -40.57 94.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 45.109999999999999 110.889 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.47 -52.66 64.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 70.299999999999997 111.08 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.21 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.310000000000002 111.078 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -61.23 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 63.439999999999998 110.907 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -49.59 -48.59 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 63.020000000000003 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.19 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.119999999999997 111.13 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.96 -14.84 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.25 111.086 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -74.1 -50.43 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.010000000000005 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.738 0.304 . . . . 72.120000000000005 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.95 -49.38 63.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 55.200000000000003 110.924 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.13 -46.23 88.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 43.43 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.79 -42.37 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 70.109999999999999 110.9 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -80.37 -28.55 37.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 64.340000000000003 110.904 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -66.77 -34.24 77.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.310000000000002 110.868 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.2 pt -92.28 15.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.131 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 855' ' ' LEU . 5.3 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 71.109999999999999 110.872 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.912 0.387 . . . . 75.430000000000007 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -58.55 -42.46 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -63.6 -57.77 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 64.209999999999994 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 26.5 tp -50.89 -49.88 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.55 -28.08 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.519999999999996 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.7 -54.68 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 72.129999999999995 110.845 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 778' ' ' VAL . 9.4 mp -64.44 -44.08 92.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 72.409999999999997 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 775' ' ' LEU . 0.4 OUTLIER -61.47 -44.95 96.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 71.049999999999997 110.924 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.95 -52.58 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 55.420000000000002 110.936 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 22.3 mt -53.93 -55.94 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.400000000000006 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 782' ' ' VAL . 93.5 t -52.74 -57.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.150000000000006 111.129 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.407 HG23 HD13 ' A' ' 775' ' ' LEU . 19.5 p -53.96 -40.36 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.099999999999994 111.134 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -59.32 -50.43 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 110.876 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.1 -37.78 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.349999999999994 111.08 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 778' ' ' VAL . 89.7 t -65.61 -37.7 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 73.140000000000001 111.152 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.319999999999993 110.88 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.768 0.318 . . . . 72.430000000000007 110.936 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.83 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 62.340000000000003 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.37 -59.32 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.120000000000005 110.94 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -59.42 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 64.109999999999999 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.2 t -51.89 -61.36 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 71.450000000000003 110.865 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -61.29 -32.46 72.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.530000000000001 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -62.79 -48.76 77.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 61.130000000000003 110.887 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.219999999999999 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -69.1 -58.23 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.219999999999999 110.863 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -56.7 -45.04 82.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.340000000000003 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.9 t -64.06 -49.52 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 63.509999999999998 110.887 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.62 -53.48 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 60.399999999999999 111.124 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 815' ' ' LEU . 48.4 t -62.97 -38.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 73.400000000000006 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.4 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 55.240000000000002 110.927 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.67 -47.1 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 812' ' ' VAL . 0.5 OUTLIER -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.909 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -68.73 -60.65 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.400000000000006 110.898 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.8 61.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 111.088 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 97.7 m -64.45 -41.37 96.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 73.230000000000004 111.116 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -66.41 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 52.299999999999997 111.135 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 44.8 mm -72.36 -34.91 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 75.430000000000007 111.143 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -83.75 -25.63 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.510000000000005 111.103 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.3 p -86.72 -26.59 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 111.118 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 62.229999999999997 111.106 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 74.120000000000005 111.113 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.09 -34.77 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 70.209999999999994 110.869 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.658 ' O ' HG23 ' A' ' 832' ' ' VAL . 22.5 mmt180 -65.55 -56.97 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.530000000000001 110.896 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.0 -44.9 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 111.166 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.28 -47.95 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 111.148 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -57.91 -36.42 72.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 65.540000000000006 110.939 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 828' ' ' ARG . 90.7 t -75.55 -60.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.040000000000006 111.092 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 833' ' ' LEU . 0.6 OUTLIER -51.59 -37.81 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.150000000000006 110.923 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . 0.426 ' NE2' ' HE ' ' A' ' 838' ' ' ARG . 3.6 tp60 -73.23 -55.61 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 51.229999999999997 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.55 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.137 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . 0.431 ' HB1' ' NH1' ' A' ' 853' ' ' ARG . . . -69.42 -52.79 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 44.130000000000003 111.072 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -52.11 -52.54 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 72.310000000000002 110.939 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.426 ' HE ' ' NE2' ' A' ' 834' ' ' GLN . 47.4 mtt-85 -64.01 -44.71 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 64.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -52.85 -57.68 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.7 tp -66.97 -30.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.229999999999997 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 -69.09 -27.89 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.030000000000001 110.863 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 73.450000000000003 110.89 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.783 0.325 . . . . 53.210000000000001 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -51.98 -43.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.109999999999999 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.69 -53.54 30.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 70.120000000000005 112.501 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.16 -40.55 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.326 . . . . 70.209999999999994 110.879 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.13 -33.07 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 65.140000000000001 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . 0.431 ' NH1' ' HB1' ' A' ' 836' ' ' ALA . 28.0 mtp180 -62.03 -44.99 95.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 63.539999999999999 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.6 -35.8 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 65.549999999999997 110.93 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 27.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.901 0.381 . . . . 75.420000000000002 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -52.21 -40.67 61.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 64.230000000000004 110.833 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.78 -57.71 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 55.149999999999999 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 11.6 tp -49.65 -50.31 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -64.3 -32.64 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 64.340000000000003 110.87 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.34 -58.48 7.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 75.230000000000004 110.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 778' ' ' VAL . 7.7 mp -60.1 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 72.239999999999995 110.895 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.71 -30.7 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 64.030000000000001 110.949 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 56.9 tp -70.53 -59.16 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.892 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 12.6 pt -55.17 -39.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.439999999999998 111.05 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 782' ' ' VAL . 75.5 t -67.3 -63.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.530000000000001 111.159 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.8 m -49.15 -34.35 14.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 43.399999999999999 111.144 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -69.67 -52.62 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.140000000000001 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 2.3 tp -60.44 -25.93 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.209999999999994 111.113 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 778' ' ' VAL . 46.9 t -76.88 -52.02 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 61.119999999999997 111.104 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.430000000000007 110.901 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.809 0.337 . . . . 71.219999999999999 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -63.58 -33.68 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -62.51 -59.4 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.98 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -59.22 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 74.319999999999993 110.884 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.5 t -51.86 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 63.219999999999999 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.87 -35.02 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 73.129999999999995 110.904 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.6 -47.25 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 65.409999999999997 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 30.4 mt -68.98 -37.42 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 110.92 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.11 -58.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 53.439999999999998 110.909 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -57.64 -44.22 85.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.530000000000001 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.8 t -63.99 -51.14 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 61.409999999999997 110.833 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.17 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.439999999999998 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.29 -37.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.140000000000001 111.132 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.54 -35.92 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 65.519999999999996 110.9 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.1 -43.36 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 110.888 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 31.4 mt -63.31 -50.88 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.349999999999994 110.924 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -60.36 -58.3 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.540000000000006 110.88 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.61 53.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.039 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 47.8 m -63.22 -41.79 99.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 61.420000000000002 111.103 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.31 93.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 53.020000000000003 111.122 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.58 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 64.519999999999996 111.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.87 48.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 41.149999999999999 111.153 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.636 HG22 ' CD ' ' A' ' 828' ' ' ARG . 70.4 t -86.54 -26.05 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 61.229999999999997 111.08 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 71.219999999999999 111.139 179.843 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 74.200000000000003 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -51.66 -38.26 54.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 62.310000000000002 110.872 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.636 ' CD ' HG22 ' A' ' 822' ' ' VAL . 11.9 mtt-85 -62.0 -60.17 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.88 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 822' ' ' VAL . 99.2 t -52.58 -44.9 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 111.076 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.582 HG22 ' OE1' ' A' ' 834' ' ' GLN . 43.5 mm -66.92 -33.77 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 73.230000000000004 111.125 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.36 -47.36 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 63.340000000000003 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.92 -34.44 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.319999999999993 111.163 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.37 -52.71 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 43.310000000000002 110.935 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . 0.582 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.6 pt20 -69.92 -41.12 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.96 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.62 88.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 41.5 111.107 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.36 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 64.430000000000007 111.115 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -46.17 84.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.540000000000006 110.935 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.0 -48.16 81.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 110.814 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.8 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.08 -30.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 111.114 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -71.36 -31.0 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.871 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 74.430000000000007 110.881 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.737 0.303 . . . . 63.109999999999999 110.858 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.08 -32.14 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 110.882 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.65 26.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 73.109999999999999 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.811 HD22 HD11 ' A' ' 854' ' ' ILE . 0.5 OUTLIER -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 74.299999999999997 110.925 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.67 -36.79 70.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.853 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -65.81 -43.68 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 110.815 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . 0.811 HD11 HD22 ' A' ' 851' ' ' LEU . 43.3 pt -72.03 -25.78 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 74.510000000000005 111.161 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.450000000000003 110.914 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.949 0.405 . . . . 75.549999999999997 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -52.23 -39.17 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 75.019999999999996 110.845 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.98 -58.02 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.319999999999993 110.84 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.7 -48.82 58.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 64.230000000000004 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -66.75 -29.72 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.400000000000006 110.881 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -68.12 -58.9 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.530000000000001 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -60.43 -43.91 96.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 63.229999999999997 110.906 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 779' ' ' THR . 10.1 tt -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.120000000000005 110.907 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.48 -54.57 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.937 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.33 -56.79 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 72.319999999999993 111.156 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 782' ' ' VAL . 89.3 t -51.75 -59.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 54.299999999999997 111.133 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 775' ' ' LEU . 53.5 p -51.78 -48.54 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 111.154 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -53.81 -52.25 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 64.319999999999993 110.914 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.36 -39.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.010000000000005 111.157 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 778' ' ' VAL . 89.9 t -59.54 -44.49 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.122 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 110.914 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.746 0.308 . . . . 75.140000000000001 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.37 -38.81 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.140000000000001 110.929 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.18 -60.22 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.958 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -58.39 -47.59 83.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 74.450000000000003 110.932 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.6 t -51.72 -61.24 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.829 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.02 -33.82 69.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.010000000000005 110.905 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -50.42 73.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.519999999999996 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.86 -35.37 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.229999999999997 110.934 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 71.519999999999996 110.855 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.8 -44.45 81.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 63.119999999999997 110.893 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.0 t -63.37 -51.46 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 54.009999999999998 110.871 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.25 -52.79 41.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.75 -37.37 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 75.430000000000007 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -66.63 -36.21 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.540000000000006 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.65 -43.49 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.15 -51.55 65.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.959 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -58.7 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 110.882 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.31 48.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 111.098 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.8 m -62.54 -40.85 98.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 111.156 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.25 -33.42 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 111.153 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.26 -34.4 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.120000000000005 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.85 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.540000000000006 111.051 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.3 p -86.59 -26.36 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 40.119999999999997 111.147 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 55.329999999999998 111.146 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.798 0.332 . . . . 71.25 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -33.28 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 110.886 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 832' ' ' VAL . 25.7 mmt180 -66.92 -60.09 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.230000000000004 110.928 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 71.9 t -53.66 -43.83 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 42.25 111.131 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.571 HG22 ' OE1' ' A' ' 834' ' ' GLN . 41.5 mt -64.91 -54.75 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 111.189 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -51.93 -36.67 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.230000000000004 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 828' ' ' ARG . 88.5 t -72.55 -49.2 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 61.310000000000002 111.133 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 833' ' ' LEU . 0.6 OUTLIER -52.79 -50.56 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 51.409999999999997 110.931 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . 0.571 ' OE1' HG22 ' A' ' 830' ' ' ILE . 7.7 pt20 -68.0 -44.0 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.519999999999996 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -56.14 -58.82 6.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 72.239999999999995 111.112 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.11 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 74.540000000000006 111.078 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -51.02 -64.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.94 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -43.52 61.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 64.530000000000001 110.894 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.48 -62.38 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 111.112 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.5 tp -69.62 -14.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.439999999999998 111.119 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -67.64 -52.19 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 110.896 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 110.85 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.752 0.31 . . . . 74.209999999999994 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -52.02 -50.9 60.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.140000000000001 110.881 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.88 -44.11 80.55 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 73.109999999999999 112.509 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 41.7 tp -51.68 -48.77 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 71.439999999999998 110.959 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.19 -35.15 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 60.140000000000001 110.913 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -52.09 -49.63 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.549999999999997 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 37.3 pt -77.48 -20.24 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 73.25 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.340000000000003 110.971 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 14.3 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.922 0.391 . . . . 75.140000000000001 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -52.74 -38.15 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 72.400000000000006 110.821 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.99 -57.94 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.109999999999999 110.847 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.76 -48.93 59.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -68.09 -28.9 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.329999999999998 110.839 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.55 -51.13 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.848 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 778' ' ' VAL . 29.3 tp -65.85 -44.12 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 74.519999999999996 110.923 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.16 -43.59 97.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.7 -53.06 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.944 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 27.0 mt -55.79 -59.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 111.124 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 782' ' ' VAL . 91.1 t -51.77 -59.19 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 61.439999999999998 111.122 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 89.2 m -51.68 -47.78 63.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 111.131 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -52.14 -55.26 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.430000000000007 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.1 -43.09 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 63.240000000000002 111.169 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 778' ' ' VAL . 86.6 t -55.49 -42.97 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.349999999999994 111.17 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 72.540000000000006 110.939 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.743 0.306 . . . . 62.299999999999997 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -54.57 -33.81 60.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 63.530000000000001 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -60.36 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 70.420000000000002 110.937 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -61.59 -47.34 85.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 73.230000000000004 110.927 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.2 t -51.86 -58.37 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 110.914 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -60.86 -34.58 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.230000000000004 110.956 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -49.79 76.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.932 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -36.37 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 73.310000000000002 110.937 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -66.02 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 63.310000000000002 110.874 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -57.41 -44.19 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.829 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 19.8 t -63.61 -51.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.019999999999996 110.83 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.45 45.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.299999999999997 111.087 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.08 -37.28 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 111.15 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -66.81 -35.9 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 73.549999999999997 110.867 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.07 -43.37 67.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.43 -50.78 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 71.319999999999993 110.873 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.47 -58.3 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.120000000000005 110.89 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -42.77 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 111.106 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.5 m -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 60.200000000000003 111.152 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 61.350000000000001 111.08 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 47.8 mm -67.98 -35.69 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 74.510000000000005 111.125 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.1 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.540000000000006 111.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 818' ' ' THR . 78.5 t -86.53 -27.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.010000000000005 111.098 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.409999999999997 111.073 179.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.337 . . . . 51.43 111.148 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . 0.449 ' HA ' HD12 ' A' ' 830' ' ' ILE . 0.7 OUTLIER -53.37 -37.42 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 72.329999999999998 110.869 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.639 ' O ' HG23 ' A' ' 832' ' ' VAL . 25.9 mmt180 -62.78 -59.46 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.858 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.31 -39.27 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.420000000000002 111.091 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.536 HG22 ' OE1' ' A' ' 834' ' ' GLN . 25.9 mt -64.29 -59.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.409999999999997 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -51.76 -38.51 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.88 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 828' ' ' ARG . 68.3 t -69.85 -43.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 41.329999999999998 111.133 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -56.88 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . 0.536 ' OE1' HG22 ' A' ' 830' ' ' ILE . 7.6 pt20 -59.66 -46.93 87.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.129999999999995 110.884 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.1 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 71.540000000000006 111.106 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.51 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 63.140000000000001 111.08 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.48 -60.19 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.918 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -50.83 -45.13 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.439999999999998 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 73.420000000000002 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 18.2 mt -64.6 -31.44 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -75.43 -38.74 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.450000000000003 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 53.530000000000001 110.833 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.798 0.332 . . . . 74.140000000000001 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -52.33 -37.58 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 64.040000000000006 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.61 -54.38 26.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 71.140000000000001 112.444 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.649 HD13 HD23 ' A' ' 855' ' ' LEU . 0.2 OUTLIER -56.2 -45.96 79.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 64.299999999999997 110.924 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -37.53 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 110.864 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -58.75 -47.87 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 70.120000000000005 110.907 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -73.73 -32.52 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 65.230000000000004 111.115 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . 0.649 HD23 HD13 ' A' ' 851' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.869 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.4 t80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.885 0.374 . . . . 74.340000000000003 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.37 -41.59 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.120000000000005 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -62.56 -57.95 9.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.897 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.89 -50.83 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.919 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -64.28 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 65.420000000000002 110.848 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -58.81 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 778' ' ' VAL . 17.8 tp -60.14 -46.94 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.540000000000006 110.874 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 779' ' ' THR . 18.0 tp -61.12 -32.15 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 65.439999999999998 110.929 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 36.7 tp -69.48 -60.35 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.944 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 9.9 tt -53.39 -41.32 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 52.530000000000001 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 782' ' ' VAL . 76.0 t -64.81 -62.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 52.109999999999999 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 775' ' ' LEU . 66.8 p -52.87 -28.68 24.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 75.099999999999994 111.118 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -70.55 -59.2 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 41.4 mm -58.69 -31.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 61.439999999999998 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 778' ' ' VAL . 96.6 t -71.92 -50.15 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 111.134 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 62.219999999999999 110.875 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.772 0.32 . . . . 72.310000000000002 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -54.48 -33.97 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 110.948 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -59.16 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -58.27 -47.45 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 74.409999999999997 110.897 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.4 t -52.29 -61.09 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.240000000000002 110.888 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -57.98 -33.3 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 74.420000000000002 110.93 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -50.34 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 60.210000000000001 110.85 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 74.430000000000007 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -67.09 -59.74 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 54.329999999999998 110.884 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -56.87 -44.58 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 61.109999999999999 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.7 t -63.22 -51.55 65.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 61.539999999999999 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.76 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.340000000000003 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.76 -37.36 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 63.140000000000001 111.121 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.62 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.66 -43.46 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.926 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.26 -51.52 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.91 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -59.59 -58.71 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.129999999999995 110.913 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.88 -43.27 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 65.439999999999998 111.081 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.1 m -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 63.439999999999998 111.171 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.55 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.25 -33.48 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 65.040000000000006 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.28 -34.34 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.5 111.129 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.17 -25.82 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.329999999999998 111.075 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.39 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.144 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 52.020000000000003 111.113 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.799 0.333 . . . . 73.420000000000002 111.166 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.6 -36.19 44.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.209999999999994 110.873 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -63.92 -58.93 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 95.9 t -54.01 -41.55 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.509999999999998 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.37 -34.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 111.144 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.42 -47.81 66.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.91 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.16 -38.67 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 75.400000000000006 111.106 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.7 -40.98 84.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 65.230000000000004 110.942 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -53.29 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.219999999999999 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.55 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 73.430000000000007 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -55.98 -59.64 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 65.209999999999994 111.057 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . 0.712 ' HA ' HD12 ' A' ' 840' ' ' ILE . 13.8 t80 -56.47 -40.29 74.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 71.340000000000003 110.909 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.96 -50.86 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 74.25 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.14 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 52.32 111.119 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 837' ' ' TYR . 20.8 mt -59.82 -39.57 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 51.340000000000003 111.102 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -83.32 -25.81 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.310000000000002 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.741 0.305 . . . . 74.329999999999998 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -56.8 -41.44 77.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 62.420000000000002 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.81 -49.72 57.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 63.350000000000001 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.15 -44.39 83.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 75.030000000000001 110.906 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -73.45 -29.11 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.019999999999996 110.914 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -72.21 -43.06 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.540000000000006 110.858 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 35.6 pt -73.4 -26.05 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.43 111.153 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.239999999999995 110.946 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.898 0.38 . . . . 73.120000000000005 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -52.8 -40.52 63.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 74.430000000000007 110.874 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -62.29 -57.98 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.91 -50.43 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.914 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -63.86 -32.27 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -63.19 -58.82 5.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.865 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 778' ' ' VAL . 15.3 tp -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.409999999999997 110.894 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -32.11 71.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 72.349999999999994 110.958 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.68 -61.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.519999999999996 110.952 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.9 tt -52.98 -42.9 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 73.109999999999999 111.122 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 782' ' ' VAL . 74.7 t -62.87 -63.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.040000000000006 111.103 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.2 m -52.0 -44.36 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.104 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -56.17 -53.76 53.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 30.7 mt -61.01 -42.04 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 111.163 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 778' ' ' VAL . 98.7 t -56.47 -43.69 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 73.329999999999998 111.163 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 110.856 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.754 0.312 . . . . 71.109999999999999 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.82 -34.34 77.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.884 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.86 -59.89 4.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 64.430000000000007 110.949 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -58.21 -47.75 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 74.230000000000004 110.928 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.85 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.84 -33.68 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.925 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -50.46 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 64.040000000000006 110.861 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 71.230000000000004 110.918 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.540000000000006 110.898 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -56.96 -44.31 82.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.0 t -63.52 -51.41 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 70.310000000000002 110.867 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.56 44.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 74.5 111.156 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.05 -37.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 71.230000000000004 111.103 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.73 -35.88 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.17 -43.19 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.923 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.51 -50.76 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 52.539999999999999 110.945 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.66 -58.25 9.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 53.229999999999997 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -43.15 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 111.144 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 822' ' ' VAL . 50.0 m -63.13 -41.26 99.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 54.530000000000001 111.122 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.39 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 72.409999999999997 111.077 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.59 -35.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 111.119 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.06 -28.01 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 50.310000000000002 111.118 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 818' ' ' THR . 71.9 t -86.52 -25.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 63.210000000000001 111.096 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.813 0.34 . . . . 70.040000000000006 111.165 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . 0.621 ' HA ' HD12 ' A' ' 830' ' ' ILE . 1.9 p30 -51.83 -51.85 53.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 74.519999999999996 110.861 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 832' ' ' VAL . 8.0 tpt180 -51.93 -51.5 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.885 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.38 -37.73 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.131 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 827' ' ' ASP . 20.4 mt -67.27 -53.15 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 111.122 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.33 -37.04 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.430000000000007 110.851 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 828' ' ' ARG . 95.6 t -74.61 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.120000000000005 111.099 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' ' 833' ' ' LEU . 0.7 OUTLIER -51.78 -39.88 59.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.450000000000003 110.908 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -70.49 -55.44 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.430000000000007 110.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.54 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.310000000000002 111.122 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.59 -55.31 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.150000000000006 111.15 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -51.79 -57.09 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.95 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -53.87 -45.89 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 73.430000000000007 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.51 -61.72 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 111.12 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.72 -17.78 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.030000000000001 111.146 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -74.79 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.857 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.785 0.326 . . . . 52.409999999999997 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -51.93 -57.91 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.439999999999998 110.913 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.2 91.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 45.140000000000001 112.48 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 18.2 tp -51.94 -42.69 63.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.76 0.314 . . . . 74.140000000000001 110.929 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -86.21 -33.37 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 110.875 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.59 70.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.843 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.35 -13.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 63.340000000000003 111.112 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 855' ' ' LEU . 3.3 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 72.230000000000004 110.93 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 21.0 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.912 0.387 . . . . 72.409999999999997 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.98 -41.79 75.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 63.350000000000001 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -62.39 -57.95 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.400000000000006 110.898 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.93 -50.23 47.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 72.140000000000001 110.918 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -64.11 -32.2 73.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 73.319999999999993 110.848 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.24 -58.88 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 62.350000000000001 110.829 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 778' ' ' VAL . 33.0 tp -59.41 -47.59 84.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.941 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.01 -32.06 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 70.099999999999994 110.951 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.01 -61.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.219999999999999 110.929 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 4.8 tp -52.94 -42.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 111.146 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 782' ' ' VAL . 72.7 t -63.33 -63.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.200000000000003 111.094 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -51.39 -33.19 28.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 72.530000000000001 111.184 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -66.25 -56.24 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.540000000000006 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.82 -27.77 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 70.150000000000006 111.168 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 778' ' ' VAL . 92.7 t -71.35 -53.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 74.230000000000004 111.122 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 110.926 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.768 0.318 . . . . 73.519999999999996 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -57.43 -33.85 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 50.109999999999999 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -60.12 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.299999999999997 110.885 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -57.27 -47.4 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 50.219999999999999 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.2 t -51.85 -61.22 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 72.120000000000005 110.826 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -57.83 -33.37 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 74.239999999999995 110.927 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -50.48 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 72.340000000000003 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.94 -35.25 78.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 60.119999999999997 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -67.19 -59.72 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 110.928 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -56.74 -44.66 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 72.040000000000006 110.885 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.3 t -63.3 -51.25 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 110.84 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.78 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.200000000000003 111.113 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.75 -37.4 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.049999999999997 111.109 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -66.54 -36.28 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 70.120000000000005 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.65 -43.45 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 64.319999999999993 110.961 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.17 -51.54 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 60.420000000000002 110.936 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -58.7 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 70.540000000000006 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.28 48.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 71.439999999999998 111.097 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.59 -40.79 98.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 111.141 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.3 -33.42 74.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 53.210000000000001 111.127 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.29 -34.36 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 75.200000000000003 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.12 -25.92 29.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.067 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.58 -26.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 64.310000000000002 111.085 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 64.430000000000007 111.131 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 63.530000000000001 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.19 -39.29 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 62.149999999999999 110.841 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -53.15 56.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.510000000000005 110.87 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.1 -52.45 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 111.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 830' ' ' ILE . 0.0 OUTLIER -65.53 -30.73 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 65.329999999999998 111.17 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 75.140000000000001 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 70.3 t -74.75 -38.59 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 63.420000000000002 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.33 -47.16 87.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 62.310000000000002 110.94 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -73.45 -49.36 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.540000000000006 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.86 -42.94 76.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 111.136 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -72.14 -55.35 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 55.149999999999999 111.092 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.25 -44.67 65.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 70.349999999999994 110.896 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -70.7 -43.95 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 62.100000000000001 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.88 -32.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.319999999999993 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -67.87 -28.13 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.099999999999994 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 62.210000000000001 110.863 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.769 0.318 . . . . 73.239999999999995 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.19 -47.96 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 854' ' ' ILE . . . -70.14 -51.4 23.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 63.200000000000003 112.521 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.72 -23.01 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 62.310000000000002 110.934 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -91.39 -49.13 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.25 110.868 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -59.65 -26.07 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.219999999999999 110.851 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 850' ' ' GLY . 2.2 pp -90.13 -24.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 52.439999999999998 111.149 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 110.918 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.937 0.398 . . . . 75.230000000000004 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.26 -41.27 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 71.120000000000005 110.844 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -61.72 -57.55 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 63.310000000000002 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.91 -51.15 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.908 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -28.54 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 110.898 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.97 -57.53 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 110.886 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 778' ' ' VAL . 0.8 OUTLIER -60.89 -43.91 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 73.140000000000001 110.894 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.08 -40.76 98.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.329999999999998 110.908 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.62 -54.86 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.9 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 42.4 mm -56.82 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.150000000000006 111.157 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 782' ' ' VAL . 93.6 t -51.57 -58.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.150000000000006 111.115 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -53.12 -47.52 68.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.1 -52.73 49.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.826 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.82 -44.11 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.230000000000004 111.115 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 778' ' ' VAL . 61.6 t -55.22 -42.06 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.349999999999994 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 73.420000000000002 110.891 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.761 0.315 . . . . 72.239999999999995 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.05 -32.92 74.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 60.229999999999997 110.935 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -62.87 -59.15 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.909 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -59.84 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 72.340000000000003 110.926 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.3 t -52.06 -61.27 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.871 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -61.45 -31.93 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.150000000000006 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.13 -48.5 78.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 72.430000000000007 110.872 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.38 -35.1 75.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 63.240000000000002 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 812' ' ' VAL . 18.2 tttm -69.32 -57.86 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.510000000000005 110.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -57.75 -45.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 110.89 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.8 t -63.13 -51.13 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 54.109999999999999 110.857 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.44 -52.56 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 33.049999999999997 111.096 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 808' ' ' LYS . 46.8 t -62.95 -37.23 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 60.32 111.139 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -66.88 -35.87 81.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 70.430000000000007 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.11 -43.21 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 63.310000000000002 110.954 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.55 -50.87 67.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.63 -58.29 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.349999999999994 110.833 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.24 52.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 41.039999999999999 111.081 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.3 m -63.05 -41.26 99.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 63.340000000000003 111.153 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.45 93.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 55.340000000000003 111.07 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.65 -35.56 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 72.340000000000003 111.125 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.15 -28.05 48.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 61.109999999999999 111.105 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 818' ' ' THR . 71.1 t -86.59 -25.78 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 111.103 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 61.340000000000003 111.128 179.839 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.833 0.349 . . . . 74.409999999999997 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.95 -43.07 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.010000000000005 110.88 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.532 ' HG2' HG12 ' A' ' 822' ' ' VAL . 7.2 mmt85 -59.03 -51.43 70.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.833 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 49.5 t -57.04 -59.34 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 830' ' ' ILE . 0.0 OUTLIER -57.34 -30.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.150000000000006 111.168 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -67.06 -45.7 76.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 34.539999999999999 110.869 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 828' ' ' ARG . 66.6 t -67.34 -39.08 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 70.25 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.85 -55.58 14.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.530000000000001 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.94 -36.35 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.239999999999995 110.928 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -70.54 -55.11 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 61.149999999999999 111.111 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . 0.684 ' O ' HG23 ' A' ' 840' ' ' ILE . . . -50.35 -53.16 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 72.140000000000001 111.153 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . 0.427 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -62.47 -49.57 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.420000000000002 110.885 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -52.7 -28.42 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.84 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -80.41 -49.42 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.049999999999997 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -65.8 -15.77 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.530000000000001 111.106 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -95.8 -42.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.839 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.784 0.326 . . . . 75.120000000000005 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -52.38 -29.88 26.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.519999999999996 110.924 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.88 -53.96 10.41 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 62.420000000000002 112.479 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.46 -35.15 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.724 0.297 . . . . 55.329999999999998 110.83 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -76.18 -37.17 58.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.420000000000002 110.87 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -65.61 -40.96 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 32.3 pt -74.62 -25.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.25 111.082 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 70.200000000000003 110.872 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.885 0.374 . . . . 74.340000000000003 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -52.12 -38.8 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.140000000000001 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -63.21 -58.08 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.540000000000006 110.912 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 771' ' ' LEU . 0.5 OUTLIER -50.61 -48.78 57.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 44.0 110.922 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -66.92 -29.82 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 54.439999999999998 110.904 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -68.1 -58.94 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -60.38 -43.84 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 65.010000000000005 110.946 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 779' ' ' THR . 10.5 tt -62.34 -42.32 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 110.861 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.57 -54.43 43.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 53.140000000000001 110.906 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.44 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.162 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 782' ' ' VAL . 87.9 t -51.66 -59.81 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 62.140000000000001 111.152 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 775' ' ' LEU . 53.5 p -51.97 -46.77 64.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 111.171 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -53.07 -60.59 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.1 mm -52.01 -42.95 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.209999999999994 111.163 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 778' ' ' VAL . 84.1 t -57.09 -45.99 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 62.219999999999999 111.166 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 70.219999999999999 110.858 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 800' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 54.130000000000003 110.954 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.881 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -60.26 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 63.43 110.891 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -57.57 -47.62 81.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 75.319999999999993 110.908 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.0 t -51.5 -61.33 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.040000000000006 110.847 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -57.65 -33.97 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 61.149999999999999 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.48 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.899 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.43 -35.71 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.209999999999994 110.876 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -66.92 -59.95 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 110.912 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.82 -44.42 77.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.9 t -64.39 -49.87 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.439999999999998 110.83 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.54 -53.37 38.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 111.093 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . 0.599 ' HA ' HD23 ' A' ' 815' ' ' LEU . 68.4 t -63.18 -38.44 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 54.340000000000003 111.101 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -65.61 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.329999999999998 110.905 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -47.0 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 72.519999999999996 110.855 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 812' ' ' VAL . 0.5 OUTLIER -65.12 -34.92 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 51.229999999999997 110.904 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.33 -60.35 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.83 -41.81 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 111.167 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 98.5 m -64.9 -41.74 95.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 111.106 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.71 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 71.310000000000002 111.112 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.72 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.019999999999996 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -75.54 -27.47 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 53.219999999999999 111.05 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 818' ' ' THR . 75.2 t -86.63 -26.07 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 65.540000000000006 111.11 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 63.409999999999997 111.1 179.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.747 0.308 . . . . 65.120000000000005 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -52.92 -41.53 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 74.150000000000006 110.922 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -60.74 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.010000000000005 110.854 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -57.26 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 111.147 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 830' ' ' ILE . 0.0 OUTLIER -60.25 -30.86 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.129999999999995 111.106 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.3 -63.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 75.530000000000001 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.22 -35.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 111.144 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.51 -60.66 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 52.43 110.883 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.59 -34.28 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 75.409999999999997 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.21 32.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 55.520000000000003 111.089 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.72 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.099 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.24 -40.27 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.946 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -57.51 -50.09 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.140000000000001 110.84 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.81 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.140000000000001 111.13 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 32.6 mm -64.34 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 71.239999999999995 111.128 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -71.2 -41.97 69.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.893 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 65.150000000000006 110.84 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . 0.641 ' HG2' HD11 ' A' ' 851' ' ' LEU . 17.6 ttm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 75.530000000000001 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -60.11 -30.92 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 75.150000000000006 110.901 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 854' ' ' ILE . . . -74.87 -54.06 6.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 75.140000000000001 112.464 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.641 HD11 ' HG2' ' A' ' 848' ' ' ARG . 3.9 pp -61.76 -30.51 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 70.329999999999998 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . 0.608 ' N ' HD12 ' A' ' 851' ' ' LEU . 43.9 tp10 -79.42 -44.83 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.140000000000001 110.875 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 60.509999999999998 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 850' ' ' GLY . 26.3 pt -68.73 -28.02 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 111.137 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.140000000000001 110.903 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 34.8 t80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.886 0.374 . . . . 51.539999999999999 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -39.1 59.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 71.540000000000006 110.829 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -62.77 -58.29 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 64.329999999999998 110.854 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.9 tp -50.65 -48.63 58.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 63.409999999999997 110.903 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . 0.485 ' O ' HD13 ' A' ' 776' ' ' LEU . 66.0 ttp85 -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.230000000000004 110.844 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.8 -58.92 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 70.219999999999999 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 778' ' ' VAL . 23.5 tp -60.61 -42.17 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.53 -45.61 91.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.93 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 772' ' ' ARG . 5.0 mp -62.39 -54.45 40.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 75.420000000000002 110.909 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.69 -60.09 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 54.020000000000003 111.125 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 782' ' ' VAL . 91.2 t -51.53 -58.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 63.119999999999997 111.169 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 98.2 m -51.73 -47.82 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.109999999999999 111.147 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.27 -55.57 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.010000000000005 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.58 -44.32 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.439999999999998 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 778' ' ' VAL . 80.7 t -54.71 -42.38 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 60.030000000000001 111.149 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.030000000000001 110.926 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.769 0.318 . . . . 64.420000000000002 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.48 -31.02 67.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 110.868 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -60.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 110.954 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -58.79 -47.32 85.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 73.510000000000005 110.863 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.5 t -52.06 -61.01 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 44.020000000000003 110.879 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -58.48 -33.26 69.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 72.530000000000001 110.878 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -49.76 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.239999999999995 110.921 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.27 -34.98 77.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.927 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -68.04 -58.98 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.239999999999995 110.899 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -57.15 -44.87 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 65.040000000000006 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 27.7 t -63.13 -51.41 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.400000000000006 110.83 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.7 43.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 63.539999999999999 111.081 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.76 -37.33 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 61.219999999999999 111.138 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.66 -36.3 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 54.049999999999997 110.852 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.61 -43.44 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.91 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.25 -51.55 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 62.530000000000001 110.95 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -59.65 -58.66 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 75.109999999999999 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.32 49.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.519999999999996 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.2 m -62.64 -40.6 97.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.510000000000005 111.168 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.29 -33.46 74.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 111.13 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.3 -34.31 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 111.152 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.2 -25.72 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 31.420000000000002 111.13 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.400000000000006 111.162 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 111.106 179.883 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.803 0.335 . . . . 62.109999999999999 111.188 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.04 -43.66 63.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.030000000000001 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -58.62 -35.72 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.230000000000004 110.922 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.424 ' HA ' HG12 ' A' ' 832' ' ' VAL . 21.8 t -76.2 -34.81 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.409999999999997 111.156 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.6 mm -73.32 -40.47 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 111.162 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.84 -42.3 67.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 73.239999999999995 110.903 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 829' ' ' VAL . 7.2 p -67.44 -36.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 61.219999999999999 111.142 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.14 -54.44 12.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 65.349999999999994 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -60.76 -37.9 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.15 -54.54 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 111.101 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.63 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 111.072 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -57.03 -62.18 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 63.119999999999997 110.908 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -43.89 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.099999999999994 110.904 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.59 -53.17 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.125 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -79.6 -10.71 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 70.349999999999994 111.12 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -75.79 -43.95 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.329999999999998 110.868 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 64.510000000000005 110.889 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.731 0.3 . . . . 74.230000000000004 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -51.96 -32.17 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 72.209999999999994 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -63.57 -55.05 27.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 75.409999999999997 112.496 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 851' ' ' LEU . 4.8 tt -66.4 -28.61 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 75.120000000000005 110.929 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -78.11 -28.6 48.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 70.430000000000007 110.897 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -80.82 -35.79 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 71.030000000000001 110.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 15.4 pt -91.42 15.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 72.25 111.124 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.020000000000003 110.901 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.898 0.38 . . . . 72.099999999999994 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.420000000000002 110.901 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -61.21 -58.09 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 65.109999999999999 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.23 -51.88 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 64.209999999999994 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -62.04 -31.61 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 110.871 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -65.98 -59.19 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.030000000000001 110.88 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.01 -48.67 75.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.450000000000003 110.926 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.219999999999999 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.09 -41.51 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 53.329999999999998 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -66.08 -58.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.540000000000006 111.143 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 782' ' ' VAL . 7.3 p -51.53 -43.95 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.130000000000003 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 778' ' ' VAL . 98.8 m -61.7 -52.74 63.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 60.350000000000001 111.149 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -50.79 -45.45 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 72.420000000000002 110.905 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 43.1 mm -62.91 -45.17 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.510000000000005 111.119 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 778' ' ' VAL . 86.0 t -55.63 -40.71 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 71.230000000000004 111.161 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 65.140000000000001 110.872 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 800' ' ' LEU . 2.8 tm? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.762 0.315 . . . . 52.520000000000003 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 110.937 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -62.73 -60.18 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 72.239999999999995 110.935 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -57.88 -48.06 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 63.409999999999997 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.7 t -52.1 -61.05 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 72.439999999999998 110.885 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -57.79 -32.82 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 53.200000000000003 110.928 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.85 -50.29 74.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 74.230000000000004 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.2 -35.15 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 54.25 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.51 -59.44 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -56.95 -44.72 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 72.400000000000006 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.4 t -63.19 -51.31 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 62.32 110.895 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.79 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 55.530000000000001 111.041 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.81 -37.32 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 65.25 111.129 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 55.030000000000001 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.64 -43.52 69.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 65.219999999999999 110.906 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.11 -51.63 65.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 52.509999999999998 110.956 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -58.73 7.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.906 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.77 -43.24 48.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.540000000000006 111.074 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.65 -40.82 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 71.430000000000007 111.149 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.26 -33.56 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 111.059 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.19 -34.36 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.549999999999997 111.117 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.16 -25.84 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.340000000000003 111.15 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.713 HG23 ' HB2' ' A' ' 828' ' ' ARG . 1.4 p -86.62 -26.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 61.039999999999999 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 111.099 179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.807 0.337 . . . . 65.150000000000006 111.14 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 830' ' ' ILE . 14.5 t70 -51.98 -41.44 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.881 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.713 ' HB2' HG23 ' A' ' 822' ' ' VAL . 13.5 mtp180 -59.31 -56.69 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 73.040000000000006 110.875 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 822' ' ' VAL . 60.0 t -54.55 -40.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 111.192 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 827' ' ' ASP . 37.0 mt -64.25 -58.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 75.219999999999999 111.178 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.97 -37.51 53.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.030000000000001 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 828' ' ' ARG . 91.6 t -72.48 -49.33 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 64.519999999999996 111.098 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.67 -49.24 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 52.039999999999999 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.76 -41.87 71.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.299999999999997 110.876 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.91 -52.27 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.122 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -68.18 -50.96 50.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 50.25 111.134 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -52.09 -51.34 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 74.209999999999994 110.97 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -66.95 -38.96 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 71.030000000000001 110.838 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.17 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.472 ' O ' HD13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -86.44 -26.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 111.168 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -73.73 -27.56 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 74.150000000000006 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.129999999999995 110.838 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 41.0 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.745 0.307 . . . . 74.310000000000002 110.845 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -58.74 -40.33 83.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.310000000000002 110.94 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.15 -53.88 30.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 31.129999999999999 112.508 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.7 -46.06 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 61.109999999999999 110.92 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.51 -36.11 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.129999999999995 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -65.04 -35.76 82.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.36 15.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.430000000000007 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 855' ' ' LEU . 5.4 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.953 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.4 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.868 0.366 . . . . 52.530000000000001 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -53.38 -40.36 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.010000000000005 110.85 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -62.53 -58.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.019999999999996 110.828 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 56.6 mt -49.89 -50.19 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 62.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.895 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.95 -56.62 15.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.209999999999994 110.87 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.833 HD12 HD11 ' A' ' 777' ' ' ILE . 11.6 tp -60.49 -49.2 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.439999999999998 110.941 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.2 -31.55 70.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.91 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 777' ' ' ILE . 3.4 tt -69.16 -57.49 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.914 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . 0.833 HD11 HD12 ' A' ' 774' ' ' LEU . 22.3 pt -58.02 -34.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 111.134 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 774' ' ' LEU . 53.1 t -67.94 -63.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.120000000000005 111.112 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 10.9 t -55.36 -29.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 111.074 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -69.61 -59.44 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 73.319999999999993 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.86 -33.66 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 111.107 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 778' ' ' VAL . 83.9 t -73.8 -37.99 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 70.129999999999995 111.145 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.519999999999996 110.919 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.752 0.31 . . . . 70.329999999999998 110.939 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -59.23 -38.61 80.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 52.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -60.33 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.922 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 73.120000000000005 110.944 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 3.7 t -51.85 -61.17 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.209999999999994 110.892 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.16 -33.95 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 64.450000000000003 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.16 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.898 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.02 -35.52 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 63.409999999999997 110.915 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -59.47 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 54.229999999999997 110.893 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.18 -44.34 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.120000000000005 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 28.4 t -63.5 -51.42 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.843 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.45 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.549999999999997 111.129 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.0 -37.36 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 64.230000000000004 111.111 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.64 -36.31 82.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 62.539999999999999 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 814' ' ' LEU . 0.7 OUTLIER -70.76 -43.38 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.899 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.22 -51.51 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 73.439999999999998 110.944 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.86 -43.28 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 61.219999999999999 111.098 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.65 -40.72 97.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.530000000000001 111.169 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.29 -33.45 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 52.130000000000003 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.5 mm -72.24 -34.39 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.150000000000006 111.108 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.14 -25.88 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 111.114 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 111.147 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.25 111.124 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.328 . . . . 74.340000000000003 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -57.02 -37.22 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -64.43 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.46 -46.19 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.572 HG22 ' OE1' ' A' ' 834' ' ' GLN . 51.3 mt -65.68 -34.84 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.099999999999994 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.7 -49.88 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 110.922 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -34.45 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.36 -59.21 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.349999999999994 110.94 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . 0.572 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.3 pt20 -62.39 -43.17 99.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 53.100000000000001 110.885 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.71 18.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 51.340000000000003 111.101 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.29 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 53.210000000000001 111.053 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -53.06 -50.68 63.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 75.409999999999997 110.935 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -47.86 -57.71 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.109999999999999 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . 0.401 ' HA ' ' CE1' ' A' ' 842' ' ' HIS . . . -52.91 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.040000000000006 111.079 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 23.2 mt -51.68 -25.33 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 65.299999999999997 111.102 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.33 -55.75 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.833 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 839' ' ' ALA . 3.5 p-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 74.129999999999995 110.846 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.741 0.305 . . . . 72.5 110.84 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -52.04 -56.09 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 64.25 110.918 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.64 61.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 75.120000000000005 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.11 -44.21 74.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 74.239999999999995 110.898 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -83.44 -31.31 26.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -60.19 -38.61 83.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.64 -30.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.230000000000004 111.1 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.941 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.913 0.387 . . . . 75.219999999999999 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -53.16 -40.29 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 71.530000000000001 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.57 -57.95 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.319999999999993 110.863 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.06 -49.49 51.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.922 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.1 -31.59 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.851 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -63.62 -56.83 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 60.149999999999999 110.874 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -61.81 -45.44 93.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 60.130000000000003 110.902 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 779' ' ' THR . 70.3 mt -63.08 -31.22 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 72.239999999999995 110.876 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 777' ' ' ILE . 4.8 tt -70.75 -54.48 11.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 781' ' ' ILE . 5.9 tp -59.97 -36.67 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.138 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 782' ' ' VAL . 61.3 t -68.73 -63.02 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 72.150000000000006 111.123 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 775' ' ' LEU . 7.4 t -55.59 -28.47 55.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.164 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -71.29 -57.71 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 74.239999999999995 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 777' ' ' ILE . 82.8 mt -60.49 -37.54 75.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 778' ' ' VAL . 97.2 t -68.8 -46.33 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.229999999999997 111.177 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.340000000000003 110.858 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.84 0.352 . . . . 74.430000000000007 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.11 -33.49 65.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.929 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -60.31 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.94 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -58.84 -46.79 86.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 54.350000000000001 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.7 t -52.49 -60.99 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 35.009999999999998 110.843 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.25 -33.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 63.140000000000001 110.938 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.03 -50.21 74.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.239999999999995 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.01 -35.6 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -59.85 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.885 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.81 -44.41 81.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.882 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 34.9 t -63.4 -51.72 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.842 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.12 -52.53 42.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 54.210000000000001 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.09 -37.18 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 55.130000000000003 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -66.82 -35.77 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.329999999999998 110.91 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.22 -43.3 67.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 70.530000000000001 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.48 -50.8 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 63.130000000000003 110.932 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -58.15 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 70.150000000000006 110.865 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.17 53.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.130000000000003 111.091 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.6 m -63.07 -41.52 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 111.167 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.48 93.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 62.439999999999998 111.095 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.69 -35.6 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.540000000000006 111.161 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.55 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.210000000000001 111.115 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 828' ' ' ARG . 72.8 t -86.51 -28.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 74.010000000000005 111.119 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.085 179.904 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . 0.452 HG22 HG12 ' A' ' 830' ' ' ILE . 2.9 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.772 0.32 . . . . 72.040000000000006 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . 0.563 ' HB3' HG13 ' A' ' 822' ' ' VAL . 21.6 t0 -51.65 -37.19 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.409999999999997 110.861 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.612 ' HB2' HG12 ' A' ' 822' ' ' VAL . 9.0 tpt180 -63.11 -60.2 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.835 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 99.0 t -52.69 -45.52 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 111.154 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . 0.597 HG22 ' NE2' ' A' ' 834' ' ' GLN . 43.2 mm -65.48 -39.83 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 111.134 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.2 -52.37 65.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.85 -35.46 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 61.020000000000003 111.135 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.71 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . 0.597 ' NE2' HG22 ' A' ' 830' ' ' ILE . 1.7 pt20 -63.11 -44.75 94.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 43.310000000000002 110.88 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.43 -51.99 65.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.088 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.84 98.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 43.119999999999997 111.098 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.78 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.919 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -43.12 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 71.329999999999998 110.865 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.93 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 54.350000000000001 111.117 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.7 tt -71.63 -11.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.184 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -78.94 -33.97 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.86 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.726 0.298 . . . . 71.230000000000004 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -53.36 -38.92 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.952 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.67 -45.88 72.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 33.530000000000001 112.514 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 851' ' ' LEU . 0.5 OUTLIER -60.19 -42.69 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 74.239999999999995 110.943 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.22 -28.92 57.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.340000000000003 110.816 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -67.72 -44.78 76.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.109999999999999 110.882 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 51.4 pt -71.24 -26.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 63.219999999999999 111.155 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 63.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.9 0.381 . . . . 60.009999999999998 110.944 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -53.69 -40.59 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 65.120000000000005 110.876 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.73 -57.85 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.340000000000003 110.856 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.73 -49.01 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.924 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -66.57 -29.59 69.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 74.439999999999998 110.882 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -68.15 -59.01 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.519999999999996 110.819 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 778' ' ' VAL . 17.5 tp -60.29 -43.74 96.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 62.130000000000003 110.902 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 779' ' ' THR . 25.0 tp -62.47 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 110.913 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 777' ' ' ILE . 6.5 tt -61.45 -54.26 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.932 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 776' ' ' LEU . 41.9 mm -55.82 -56.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.129999999999995 111.142 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 782' ' ' VAL . 87.4 t -51.63 -62.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 775' ' ' LEU . 69.3 p -51.8 -40.43 60.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.130000000000003 111.162 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -58.58 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.0 mm -53.46 -42.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 51.109999999999999 111.106 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 778' ' ' VAL . 86.3 t -58.77 -46.73 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.030000000000001 111.153 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.9 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 800' ' ' LEU . 3.1 tm? . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.804 0.335 . . . . 64.140000000000001 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -61.72 -37.34 83.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.230000000000004 110.908 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -60.14 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 110.942 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -58.67 -47.47 84.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 72.450000000000003 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -51.65 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.509999999999998 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -58.35 -33.73 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.549999999999997 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.28 -50.38 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.82 -35.11 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.420000000000002 110.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.52 -59.83 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 64.040000000000006 110.886 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.53 -44.8 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.549999999999997 110.896 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.5 t -63.15 -51.2 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.109999999999999 110.867 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.22 37.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 111.088 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.09 -37.91 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 61.530000000000001 111.139 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.84 -37.26 85.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.919 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.21 -44.83 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 110.963 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.73 -53.57 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 110.878 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -48.3 -42.77 31.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 53.310000000000002 111.072 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 53.6 m -60.01 -44.75 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 72.530000000000001 111.157 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.583 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.1 -28.35 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.530000000000001 111.096 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.25 -38.21 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 54.039999999999999 111.19 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -81.89 -26.41 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 52.310000000000002 111.108 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 827' ' ' ASP . 0.9 OUTLIER -85.41 -26.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 72.310000000000002 111.157 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 61.509999999999998 111.08 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.773 0.32 . . . . 71.200000000000003 111.116 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . 0.784 ' HB2' HG22 ' A' ' 822' ' ' VAL . 35.4 t0 -51.58 -33.46 32.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 64.099999999999994 110.85 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 832' ' ' VAL . 0.0 OUTLIER -67.01 -58.13 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 64.409999999999997 110.858 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.66 -41.74 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 70.200000000000003 111.103 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.17 -45.51 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 111.12 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.28 -37.22 74.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.530000000000001 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 828' ' ' ARG . 93.9 t -74.11 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.239999999999995 111.07 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.53 -40.67 60.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.8 -55.46 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.909 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.52 -51.86 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 65.120000000000005 111.122 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.2 34.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 51.509999999999998 111.08 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.97 -58.1 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 62.310000000000002 110.933 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -54.92 -39.25 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 74.239999999999995 110.862 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.31 -60.58 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 44.399999999999999 111.073 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.471 ' O ' HD13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -57.67 -26.26 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 111.067 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.77 -30.92 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.835 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.856 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.782 0.325 . . . . 72.510000000000005 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -51.91 -45.99 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.409999999999997 110.924 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.53 -46.18 63.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 54.5 112.504 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 32.7 tp -52.39 -47.6 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 72.439999999999998 110.926 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.55 -37.18 57.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 62.299999999999997 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -49.81 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 71.200000000000003 110.865 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.27 -18.18 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 60.229999999999997 111.097 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 70.340000000000003 110.946 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.916 0.389 . . . . 74.040000000000006 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 45.530000000000001 110.905 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.07 -57.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 60.130000000000003 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -48.52 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 71.120000000000005 110.891 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.63 -28.39 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.329999999999998 110.889 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -53.28 24.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 62.409999999999997 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 774' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 778' ' ' VAL . 0.2 OUTLIER -64.7 -44.04 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 54.109999999999999 110.923 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -42.27 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 42.039999999999999 110.899 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.49 -52.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.549999999999997 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.84 -57.94 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 111.104 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 778' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 782' ' ' VAL . 94.1 t -52.57 -60.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.140000000000001 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 95.5 m -51.51 -47.36 63.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 44.32 111.147 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -51.91 -52.89 46.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 73.450000000000003 110.894 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.74 -46.65 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.100000000000001 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 778' ' ' VAL . 98.3 t -50.83 -40.51 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 71.319999999999993 111.131 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 70.150000000000006 110.871 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.769 0.319 . . . . 73.349999999999994 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.12 -34.55 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 73.340000000000003 110.902 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -55.77 -48.74 74.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 72.120000000000005 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.9 t -51.59 -61.13 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 62.030000000000001 110.847 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.02 -28.27 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.530000000000001 110.952 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -37.88 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 110.906 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.78 -39.44 64.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 72.439999999999998 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 812' ' ' VAL . 1.0 OUTLIER -73.92 -38.74 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 60.409999999999997 110.854 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.76 -44.48 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 55.219999999999999 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 17.0 t -68.99 -45.84 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 53.119999999999997 110.881 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 74.439999999999998 111.099 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 808' ' ' LYS . 92.4 t -65.52 -38.21 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 73.200000000000003 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -66.42 -35.31 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.239999999999995 110.905 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.7 tp -71.61 -44.02 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 41.229999999999997 110.905 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.09 -51.15 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 61.310000000000002 110.936 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -60.27 -58.55 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 71.409999999999997 110.886 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.93 -43.01 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.040000000000006 111.141 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.86 -40.82 98.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.181 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.11 -33.51 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.450000000000003 111.079 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.29 -34.39 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 63.450000000000003 111.158 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.73 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 73.019999999999996 111.063 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.64 -26.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.119 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.135 179.842 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.817 0.341 . . . . 72.349999999999994 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -51.73 -35.28 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 53.539999999999999 110.857 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -64.92 -58.3 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 73.030000000000001 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.31 -39.26 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.2 mm -70.69 -35.43 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 73.349999999999994 111.14 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -68.02 -44.25 76.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 63.520000000000003 110.876 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.54 -39.5 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.319999999999993 111.103 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.5 tp -71.38 -42.95 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.040000000000006 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -65.29 -50.03 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.530000000000001 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.9 -50.43 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.148 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.6 -56.87 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.209999999999994 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' TYR . . . . . 0.495 ' HA ' HD12 ' A' ' 840' ' ' ILE . 12.5 t80 -58.03 -38.91 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 65.349999999999994 110.958 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -54.35 47.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 72.109999999999999 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.3 96.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 64.239999999999995 111.102 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 837' ' ' TYR . 19.3 mt -62.1 -37.17 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.439999999999998 111.078 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -80.87 -27.42 36.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.927 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 72.019999999999996 110.855 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.74 0.305 . . . . 52.409999999999997 110.851 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -52.54 -39.56 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.530000000000001 110.924 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.22 -50.02 29.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 21.52 112.479 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 851' ' ' LEU . 0.5 OUTLIER -55.49 -37.65 68.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 50.32 110.897 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -82.92 -29.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.140000000000001 110.869 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -63.6 -47.93 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.209999999999994 110.887 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.9 -25.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 111.161 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 65.120000000000005 110.884 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.877 0.37 . . . . 54.210000000000001 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -51.48 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 44.539999999999999 110.937 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -56.72 -30.74 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 61.409999999999997 111.109 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 755' ' ' LEU . 3.2 tm? -72.23 -51.81 19.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.96 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 47.9 mm -60.36 -39.61 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 63.100000000000001 111.12 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -69.04 -52.46 28.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.933 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.36 -41.57 69.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 70.439999999999998 110.862 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.38 -55.94 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 64.099999999999994 110.83 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -48.55 64.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 110.896 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -60.69 -54.89 39.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 110.91 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 5.5 t -52.78 -50.29 63.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 54.039999999999999 110.884 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.81 -31.95 73.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 62.219999999999999 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 33.7 t -63.9 -63.04 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 75.219999999999999 110.864 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 765' ' ' LEU . 4.2 tt -59.55 -41.08 89.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.93 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -62.66 -48.71 78.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 51.030000000000001 110.858 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.6 t -58.74 -50.18 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 110.862 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -57.24 -60.84 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 73.209999999999994 110.925 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -53.81 -38.26 64.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.064 -0.516 . . . . 52.439999999999998 110.826 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -64.21 -57.99 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.239999999999995 110.912 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 19.7 mt -50.85 -47.66 60.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.928 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -69.2 -28.8 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 55.329999999999998 110.849 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -69.02 -56.91 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 778' ' ' VAL . 69.0 mt -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 779' ' ' THR . 30.0 mt -63.0 -46.26 88.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.902 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 22.9 mt -62.47 -50.85 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 70.319999999999993 110.928 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.3 mt -55.32 -58.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 111.093 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 782' ' ' VAL . 98.1 t -52.13 -58.61 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 54.43 111.137 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 775' ' ' LEU . 46.5 p -51.71 -49.2 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 71.530000000000001 111.144 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -52.17 -53.1 47.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.019999999999996 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.35 -36.75 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 111.128 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 778' ' ' VAL . 73.7 t -62.38 -45.17 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 111.133 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -74.24 -28.92 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.885 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.31 -26.02 46.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.549999999999997 110.917 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 785' ' ' LEU . 3.3 tm? -91.3 -33.08 15.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 75.140000000000001 110.901 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.28 -27.97 25.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 53.219999999999999 112.478 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -52.37 -53.86 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 71.109999999999999 110.914 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -89.78 -35.32 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.120000000000005 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -60.22 -19.57 52.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 74.109999999999999 112.479 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -52.05 -50.82 60.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 73.549999999999997 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.04 -54.73 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 74.420000000000002 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.64 -52.94 43.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 71.230000000000004 111.102 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.88 -51.56 55.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 64.430000000000007 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -55.75 -41.91 74.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.109999999999999 110.897 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -59.88 -52.79 63.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 71.299999999999997 110.947 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -56.18 -46.08 79.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 73.299999999999997 110.871 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -63.41 -53.42 52.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 72.510000000000005 110.891 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -55.56 -56.5 19.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 64.230000000000004 110.875 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.709 HD23 ' HE1' ' A' ' 803' ' ' TRP . 2.5 mp -57.39 -41.84 81.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.140000000000001 110.947 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.21 -59.47 4.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 52.140000000000001 110.959 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -63.88 -33.74 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.32 -58.54 7.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 63.539999999999999 110.932 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.709 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.6 m95 -59.94 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 73.409999999999997 110.909 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.9 t -51.96 -61.3 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.109999999999999 110.858 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.41 -32.21 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.209999999999994 110.916 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -62.89 -48.78 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 110.921 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.26 -34.87 75.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.030000000000001 110.927 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 812' ' ' VAL . 34.0 ttpt -69.14 -57.77 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.230000000000004 110.927 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -57.88 -45.09 86.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.871 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 14.9 t -63.16 -51.09 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 74.150000000000006 110.915 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.43 47.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 65.430000000000007 111.099 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 808' ' ' LYS . 58.7 t -63.06 -37.22 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 71.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -66.87 -35.89 81.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.86 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.13 -43.18 68.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.040000000000006 110.922 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.55 -50.83 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.916 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -60.63 -58.23 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 55.009999999999998 110.864 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.33 -43.25 53.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 55.329999999999998 111.127 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.9 m -63.04 -41.18 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.349999999999994 111.152 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.41 93.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 61.530000000000001 111.076 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.59 -35.6 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 61.409999999999997 111.138 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.1 -28.11 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 42.119999999999997 111.092 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 818' ' ' THR . 69.9 t -86.51 -25.78 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 65.299999999999997 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.47 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 62.149999999999999 111.102 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -75.95 -5.98 48.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 64.109999999999999 110.881 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -144.43 117.07 1.0 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 72.519999999999996 112.535 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 6.6 m -74.22 -17.48 60.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 75.409999999999997 111.151 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.1 -45.58 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.893 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 832' ' ' VAL . 18.3 tpp180 -55.33 -54.4 44.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 71.230000000000004 110.914 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.45 -41.46 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 54.409999999999997 111.119 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.33 -51.14 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 63.140000000000001 111.148 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 64.150000000000006 110.893 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 828' ' ' ARG . 71.3 t -71.9 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 73.109999999999999 111.13 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.74 -44.66 63.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.209999999999994 110.872 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.49 -54.7 28.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.329999999999998 110.885 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.27 -55.26 29.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 71.150000000000006 111.124 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -53.77 -60.07 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 111.082 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -54.36 -32.72 57.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 64.299999999999997 110.903 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -52.39 60.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 75.200000000000003 110.86 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.34 -34.01 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.010000000000005 111.099 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 40.4 mm -73.26 -36.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 111.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -69.47 -48.06 61.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.91 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -74.98 -31.18 61.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 61.450000000000003 110.865 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 54.0 mt -144.97 80.94 10.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.726 . . . . 64.140000000000001 111.119 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 111.31 2.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 71.109999999999999 112.348 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -151.65 86.43 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.85 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -149.54 50.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 60.009999999999998 110.91 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 9.0 tp -82.95 -31.74 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 72.430000000000007 111.175 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -58.48 -26.35 63.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 74.140000000000001 110.862 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -52.06 -43.73 63.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.936 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.1 -49.14 49.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.040000000000006 112.531 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 37.8 tp -51.97 -46.88 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 52.530000000000001 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 856' ' ' LEU . 25.1 pt-20 -74.05 -33.75 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.895 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -63.3 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 71.200000000000003 110.87 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -92.98 15.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.209999999999994 111.173 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp -109.09 -53.31 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.565 HD23 ' H ' ' A' ' 856' ' ' LEU . 2.6 pt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 73.329999999999998 110.911 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.875 0.369 . . . . 70.510000000000005 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . 0.906 HD12 HD11 ' A' ' 756' ' ' ILE . 12.6 tp -52.08 -46.53 65.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 62.329999999999998 110.875 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.97 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 64.420000000000002 111.071 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . 0.492 HD13 ' C ' ' A' ' 755' ' ' LEU . 3.1 tm? -71.26 -54.64 10.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 61.030000000000001 110.912 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . 0.906 HD11 HD12 ' A' ' 753' ' ' LEU . 19.9 pt -59.91 -35.34 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 111.147 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.38 -46.89 59.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.510000000000005 110.915 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -60.38 -38.12 82.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 71.239999999999995 110.913 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.88 -55.44 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.209999999999994 110.876 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -47.85 64.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 110.922 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -65.3 -50.42 65.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.340000000000003 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 24.6 t -52.26 -49.97 63.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 60.509999999999998 110.855 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.08 -40.31 94.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 74.230000000000004 110.936 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.67 -62.09 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 61.329999999999998 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 61.7 mt -55.72 -51.7 66.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.109999999999999 110.895 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -54.87 -50.59 68.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 72.040000000000006 110.908 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 36.6 m -57.33 -39.44 75.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.340000000000003 110.82 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.76 -59.69 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.93 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.97 -39.71 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 73.209999999999994 110.857 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -64.55 -58.06 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 61.030000000000001 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.84 -47.39 60.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.030000000000001 110.919 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -69.67 -28.76 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 73.129999999999995 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.76 -57.28 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 71.430000000000007 110.915 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -64.85 -41.01 96.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.872 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 779' ' ' THR . 31.0 tp -62.7 -45.54 92.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 53.030000000000001 110.946 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.09 -51.77 65.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.400000000000006 110.936 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 23.2 mt -54.23 -57.49 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 111.151 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 782' ' ' VAL . 98.0 t -53.69 -56.96 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 61.109999999999999 111.147 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 775' ' ' LEU . 43.2 p -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.077 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -62.53 -51.93 65.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 70.319999999999993 110.853 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.15 -40.35 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 778' ' ' VAL . 60.0 t -64.17 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 111.154 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -72.92 -47.45 45.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 63.32 110.912 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.1 tp -62.95 -44.88 94.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 64.129999999999995 110.913 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.12 -25.51 55.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 62.240000000000002 110.91 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.52 -30.04 33.19 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 71.239999999999995 112.438 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -60.45 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 73.310000000000002 110.879 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -95.32 11.43 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 63.210000000000001 110.87 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -68.53 -19.79 73.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 62.240000000000002 112.528 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -52.33 -49.28 64.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.71 0.29 . . . . 73.25 110.887 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.23 -57.85 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 74.019999999999996 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.61 -52.11 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 74.25 111.084 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 47.9 mt -51.5 -56.71 11.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 63.130000000000003 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -43.23 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.319999999999993 110.878 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -57.42 -56.74 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 64.200000000000003 110.907 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . 0.53 ' O ' HD23 ' A' ' 800' ' ' LEU . 32.5 m95 -52.11 -44.82 64.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 74.010000000000005 110.888 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -63.83 -55.29 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.450000000000003 110.933 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.52 -56.36 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.030000000000001 110.877 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.452 HD23 ' HE1' ' A' ' 803' ' ' TRP . 0.2 OUTLIER -52.07 -49.45 63.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 65.109999999999999 110.929 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 796' ' ' TRP . 1.9 mm? -51.85 -57.44 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 64.310000000000002 110.939 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -58.18 -33.13 68.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 110.899 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -60.07 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 72.219999999999999 110.896 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.452 ' HE1' HD23 ' A' ' 799' ' ' LEU . 23.9 m95 -58.13 -46.85 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 61.219999999999999 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -52.11 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 63.049999999999997 110.899 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -58.35 -33.86 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 110.857 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.17 74.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 64.140000000000001 110.884 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.86 -35.87 79.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 65.420000000000002 110.885 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -66.84 -59.94 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 52.509999999999998 110.897 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -56.55 -44.5 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 72.329999999999998 110.844 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.2 t -63.49 -51.18 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 61.109999999999999 110.86 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.32 -52.79 42.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 35.299999999999997 111.139 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.84 -37.32 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.150000000000006 111.092 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.74 -35.85 81.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 70.420000000000002 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 814' ' ' LEU . 4.2 tt -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.898 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.43 -50.88 68.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 110.937 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.57 -58.24 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.540000000000006 110.922 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.28 -43.12 53.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 60.340000000000003 111.07 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.8 m -63.05 -41.57 99.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 65.329999999999998 111.116 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.53 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 111.072 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -69.7 -35.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 52.100000000000001 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.31 45.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 53.439999999999998 111.082 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 818' ' ' THR . 72.5 t -86.48 -31.38 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 71.230000000000004 111.118 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -64.41 -22.75 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 60.409999999999997 111.109 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -93.41 17.2 11.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 110.914 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 829' ' ' VAL . . . -147.85 130.09 3.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 75.209999999999994 112.515 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . 0.479 HG22 HD11 ' A' ' 830' ' ' ILE . 0.2 OUTLIER -72.75 -54.89 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 74.010000000000005 111.177 -179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -53.62 -32.82 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.239999999999995 110.909 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 832' ' ' VAL . 59.2 mtt180 -67.23 -55.81 12.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.150000000000006 110.83 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 822' ' ' VAL . 98.3 t -56.85 -41.04 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.230000000000004 111.112 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 826' ' ' THR . 17.9 mt -67.6 -47.98 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.128 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.12 -35.9 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 828' ' ' ARG . 86.1 t -75.43 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 74.019999999999996 111.141 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.7 tp -51.66 -37.12 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 110.922 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.77 -55.97 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 64.340000000000003 110.91 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.07 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.099999999999994 111.125 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -70.53 -53.85 14.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.510000000000005 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -52.16 -50.38 61.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.129999999999995 110.909 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -65.3 -46.05 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 75.349999999999994 110.852 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.9 -53.19 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 72.209999999999994 111.092 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 15.6 tt -70.94 -30.55 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.230000000000004 111.129 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.24 -26.33 64.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 45.409999999999997 110.862 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -94.59 -32.0 13.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.834 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.497 HG22 ' CG ' ' A' ' 845' ' ' ARG . 54.1 mt -143.64 77.54 15.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 70.230000000000004 111.12 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 94.44 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 62.329999999999998 112.325 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . 0.497 ' CG ' HG22 ' A' ' 843' ' ' ILE . 5.3 ptm180 -177.85 103.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 110.821 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -175.17 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.230000000000004 110.855 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 30.6 pt -77.86 -25.29 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 72.150000000000006 111.129 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -55.75 -63.01 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 71.430000000000007 110.847 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -36.36 51.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.52 -53.96 28.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 74.540000000000006 112.495 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.84 -39.08 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 70.530000000000001 110.89 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -74.29 -31.13 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.109999999999999 110.836 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -69.4 -39.98 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 72.439999999999998 110.851 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 25.7 pt -92.29 15.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 855' ' ' LEU . 5.1 tp -106.07 -39.55 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 72.549999999999997 110.949 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 71.200000000000003 110.903 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.899 0.381 . . . . 62.420000000000002 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 62.6 mt -52.16 -43.61 64.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 74.319999999999993 110.909 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -56.77 -56.03 26.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 70.430000000000007 111.099 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.8 -53.74 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 51.5 110.903 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 46.3 mm -55.36 -48.08 77.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 111.116 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -59.03 -43.53 91.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 74.099999999999994 110.909 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -59.66 -48.79 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 73.030000000000001 110.871 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.78 -35.93 82.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.219999999999999 110.864 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -59.86 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 74.140000000000001 110.891 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 -61.49 -33.66 74.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 64.030000000000001 110.883 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 2.2 t -63.12 -56.4 17.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.019999999999996 110.879 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.36 -46.86 88.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 110.924 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.3 t -59.91 -41.24 91.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 72.540000000000006 110.876 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.51 -47.96 74.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.340000000000003 110.911 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.1 -52.59 65.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.868 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 20.8 m -61.16 -55.79 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 110.879 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -53.52 -43.25 68.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.945 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.68 -47.85 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 74.140000000000001 110.829 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -61.96 -57.99 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.340000000000003 110.849 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.2 mp -49.45 -52.34 29.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 64.299999999999997 110.922 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -61.63 -33.46 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 73.150000000000006 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -58.14 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.219999999999999 110.897 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -59.1 -41.93 89.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.109999999999999 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 775' ' ' LEU . 0.3 OUTLIER -62.2 -35.53 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 110.874 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 776' ' ' LEU . 0.7 OUTLIER -69.29 -59.6 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 61.409999999999997 110.914 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 778' ' ' VAL . 4.7 tp -52.12 -43.76 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.049999999999997 111.137 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 782' ' ' VAL . 65.9 t -63.93 -63.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 74.140000000000001 111.112 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.3 m -51.52 -34.34 35.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -58.02 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 110.888 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.3 mm -57.92 -30.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 111.119 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 778' ' ' VAL . 95.3 t -68.3 -55.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 62.32 111.134 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -62.67 -31.0 71.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 73.219999999999999 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.78 -31.64 46.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 75.109999999999999 110.905 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 24.7 tp -83.03 -23.98 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.219999999999999 110.908 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -84.58 -39.56 8.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 61.539999999999999 112.467 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -26.1 64.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 74.340000000000003 110.865 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -52.16 -37.16 53.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -58.38 -41.03 94.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 62.020000000000003 112.475 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -72.57 -58.17 3.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.718 0.294 . . . . 74.25 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -52.8 -56.62 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 71.420000000000002 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.85 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 111.053 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.76 -57.23 8.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 61.240000000000002 110.91 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -43.4 61.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 62.020000000000003 110.919 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -56.48 -57.7 11.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 61.020000000000003 110.903 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -50.86 -47.67 60.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 65.450000000000003 110.914 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -61.84 -57.57 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 71.420000000000002 110.912 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -51.86 -56.03 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 61.210000000000001 110.845 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 6.9 mt -52.31 -45.62 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 64.310000000000002 110.925 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.41 -59.4 4.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 75.540000000000006 110.874 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -60.55 -35.48 76.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 55.039999999999999 110.921 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -62.54 -60.25 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.888 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -56.03 -49.38 73.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -61.09 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 75.200000000000003 110.85 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 53.109999999999999 110.934 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -50.14 73.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 72.040000000000006 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 5.5 mp -68.33 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.150000000000006 110.985 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -68.05 -58.88 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 73.329999999999998 110.94 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.22 -44.73 83.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 61.219999999999999 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 48.2 t -63.34 -51.2 66.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.851 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.62 44.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 60.32 111.086 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.0 -37.25 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.030000000000001 111.162 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.78 -35.76 80.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 74.200000000000003 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.25 -43.27 67.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 72.439999999999998 110.923 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.45 -50.88 68.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 60.140000000000001 110.964 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.75 -58.18 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.450000000000003 110.877 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.04 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.340000000000003 111.108 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 822' ' ' VAL . 47.0 m -63.07 -42.02 99.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 50.119999999999997 111.16 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.05 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 33.020000000000003 111.092 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -67.86 -36.39 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 72.420000000000002 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.05 51.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 74.129999999999995 111.061 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.632 HG13 ' HG2' ' A' ' 828' ' ' ARG . 78.2 t -86.4 -26.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 61.539999999999999 111.15 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -85.49 -21.9 28.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 70.329999999999998 111.122 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.34 -6.11 54.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 73.340000000000003 110.899 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -134.01 135.39 7.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 62.450000000000003 112.544 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 2.1 m -83.84 -17.47 40.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 61.109999999999999 111.14 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -52.09 -46.52 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 71.409999999999997 110.923 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.632 ' HG2' HG13 ' A' ' 822' ' ' VAL . 10.5 tpt180 -59.7 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 70.349999999999994 110.846 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.3 -61.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 111.185 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.75 -31.82 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 111.141 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -62.79 -45.15 94.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.340000000000003 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 72.2 t -71.24 -39.24 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 71.420000000000002 111.122 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 833' ' ' LEU . 0.6 OUTLIER -63.47 -46.46 86.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 62.009999999999998 110.877 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -73.07 -33.61 65.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.319999999999993 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.61 -49.43 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 55.219999999999999 111.113 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.78 66.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 43.439999999999998 111.049 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.2 -52.05 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.95 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -64.42 -42.66 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.872 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.11 -58.11 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 31.350000000000001 111.116 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.5 tp -66.99 -30.64 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 60.450000000000003 111.135 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -68.46 -29.38 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -90.01 -31.96 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.150000000000006 110.849 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 6.1 pt -140.27 73.11 31.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.597 0.713 . . . . 73.109999999999999 111.148 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 107.79 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.748 2.299 . . . . 71.549999999999997 112.344 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -173.9 32.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 110.863 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -174.06 84.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.319999999999993 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 44.3 mm -82.93 -30.41 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 73.430000000000007 111.176 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -55.76 -26.09 44.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 72.230000000000004 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -51.96 -49.52 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 75.099999999999994 110.886 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.38 -42.86 81.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 73.310000000000002 112.506 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 57.6 mt -52.84 -48.76 66.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 65.120000000000005 110.933 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -78.42 -29.51 47.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.340000000000003 110.883 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -60.95 -38.96 87.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.310000000000002 110.86 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.2 15.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.109999999999999 111.128 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 5.4 tp -109.02 -56.5 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 64.099999999999994 110.904 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 71.099999999999994 110.861 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.9 0.381 . . . . 50.509999999999998 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . 0.849 HD13 HD11 ' A' ' 756' ' ' ILE . 4.5 mm? -52.38 -46.07 66.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 51.399999999999999 110.909 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.82 -33.28 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 111.136 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 12.2 tp -69.57 -54.8 12.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 110.9 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . 0.849 HD11 HD13 ' A' ' 753' ' ' LEU . 18.4 pt -59.97 -36.33 66.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 64.420000000000002 111.107 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -67.91 -51.32 49.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.913 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -56.22 -45.06 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.209999999999994 110.866 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -62.93 -51.95 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.75 -46.63 64.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 110.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -68.66 -34.39 75.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.239999999999995 110.82 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 5.3 p -63.09 -43.89 97.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 73.430000000000007 110.86 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 763' ' ' LEU . 4.3 mm? -72.87 -46.58 52.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 64.310000000000002 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 17.1 t -60.34 -45.89 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.400000000000006 110.89 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.06 -51.71 43.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.927 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -56.71 -48.27 78.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.450000000000003 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 8.4 t -61.25 -58.35 8.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 73.349999999999994 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -53.69 -59.15 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 74.239999999999995 110.905 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -52.16 -38.62 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.030000000000001 110.88 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -65.65 -56.54 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 70.540000000000006 110.86 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 52.0 mt -49.98 -49.56 50.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 53.409999999999997 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -67.37 -32.31 73.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.420000000000002 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -63.68 -58.82 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 73.209999999999994 110.893 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 778' ' ' VAL . 25.8 tp -61.45 -44.96 96.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 64.239999999999995 110.925 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 779' ' ' THR . 9.0 tp -62.14 -32.24 72.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.933 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.64 -58.6 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.340000000000003 110.899 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 781' ' ' ILE . 5.2 tp -54.34 -40.61 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 64.150000000000006 111.102 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 782' ' ' VAL . 78.0 t -65.93 -58.1 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 111.135 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 775' ' ' LEU . 39.9 p -55.29 -33.89 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 74.310000000000002 111.135 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -58.0 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.209999999999994 110.847 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 777' ' ' ILE . 39.3 mt -54.34 -37.48 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 73.349999999999994 111.097 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 778' ' ' VAL . 94.2 t -66.72 -55.36 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 64.5 111.117 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -57.87 -38.94 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 61.409999999999997 110.856 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.9 tp -71.13 -35.41 71.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 75.040000000000006 110.915 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 24.1 tp -76.75 -24.5 52.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 74.420000000000002 110.884 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -55.61 -24.89 41.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.774 -0.727 . . . . 70.200000000000003 112.454 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -74.8 -49.05 22.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 55.32 110.921 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -60.45 -49.28 78.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -59.98 -19.76 51.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 75.129999999999995 112.49 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -56.74 -58.36 8.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 55.219999999999999 110.907 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -53.08 -57.6 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 72.140000000000001 110.902 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.36 -53.44 36.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 62.200000000000003 111.104 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.84 -53.15 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.430000000000007 110.932 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -53.65 -42.04 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 70.120000000000005 110.92 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.11 -54.1 49.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 73.200000000000003 110.894 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . 0.502 ' O ' HD23 ' A' ' 800' ' ' LEU . 39.6 m95 -53.83 -45.96 71.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 72.319999999999993 110.891 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -64.77 -57.18 9.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 62.310000000000002 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -51.46 -52.33 47.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 70.310000000000002 110.879 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.534 HD23 ' HE1' ' A' ' 803' ' ' TRP . 3.8 mp -57.83 -46.49 84.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 73.049999999999997 110.908 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 796' ' ' TRP . 1.3 mm? -52.48 -59.58 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.944 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -61.85 -37.13 83.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 64.450000000000003 110.966 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.61 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 75.040000000000006 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.534 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.0 m95 -56.63 -47.47 79.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 73.519999999999996 110.958 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.7 t -50.9 -61.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 62.329999999999998 110.882 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.61 -26.45 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 63.009999999999998 110.91 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.99 -45.97 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 110.859 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.89 -35.97 69.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.904 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.471 ' O ' HG23 ' A' ' 812' ' ' VAL . 23.7 ttpp -71.61 -52.69 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.935 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.69 -45.47 94.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.409999999999997 110.858 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 20.6 t -64.15 -50.38 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.833 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.92 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 74.099999999999994 111.087 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 808' ' ' LYS . 64.3 t -63.6 -37.41 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 111.159 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -66.81 -35.63 80.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 74.430000000000007 110.911 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.33 -43.38 67.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 53.520000000000003 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 73.9 mt -63.45 -50.75 68.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 65.340000000000003 110.932 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.78 -58.18 9.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 62.130000000000003 110.903 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.2 53.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 52.039999999999999 111.085 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.5 m -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.219999999999999 111.15 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.19 93.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 70.239999999999995 111.074 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.94 -35.48 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 54.509999999999998 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.27 -27.66 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 70.030000000000001 111.098 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 818' ' ' THR . 73.3 t -86.53 -27.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 73.25 111.153 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -83.04 -11.53 57.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 71.140000000000001 111.037 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -82.17 -5.06 58.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.823 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.13 -55.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 73.230000000000004 112.508 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . 0.473 HG22 HG13 ' A' ' 830' ' ' ILE . 2.4 m -61.88 -17.47 56.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 74.400000000000006 111.189 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.89 -36.05 47.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.901 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -64.38 -60.17 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.5 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.41 -46.19 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.340000000000003 111.153 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.576 HG22 ' OE1' ' A' ' 834' ' ' GLN . 63.5 mt -65.88 -34.02 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.209999999999994 111.132 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -64.33 -49.72 70.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.09 -34.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 73.299999999999997 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 833' ' ' LEU . 13.3 tp -62.64 -58.67 6.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 72.219999999999999 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . 0.576 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.9 pt20 -63.04 -41.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.120000000000005 110.877 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.9 -55.92 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 64.219999999999999 111.105 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.72 -54.67 38.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 75.140000000000001 111.092 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 840' ' ' ILE . 11.9 t80 -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 74.299999999999997 110.91 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -56.69 -53.04 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.439999999999998 110.895 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.08 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 53.439999999999998 111.102 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 837' ' ' TYR . 19.9 mt -59.33 -37.15 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 72.540000000000006 111.123 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -83.11 -26.18 31.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 54.299999999999997 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -32.16 63.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 63.210000000000001 110.846 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 843' ' ' ILE . 5.9 tt -144.97 86.04 7.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 64.129999999999995 111.122 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -34.46 14.57 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.744 2.296 . . . . 74.019999999999996 112.323 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -161.23 -62.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 72.349999999999994 110.825 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -156.04 54.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 64.420000000000002 110.832 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 12.5 tt -82.96 -25.24 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 63.43 111.146 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 24.9 ttp85 -52.08 -45.9 64.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.140000000000001 110.835 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -52.23 -52.0 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.109999999999999 110.911 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.72 -43.99 82.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 61.439999999999998 112.495 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' A' ' 855' ' ' LEU . 0.4 OUTLIER -51.69 -49.06 63.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 65.109999999999999 110.908 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -78.19 -34.63 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 62.340000000000003 110.864 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -52.39 -49.82 63.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.845 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 39.2 pt -76.9 -20.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 73.040000000000006 111.163 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.441 HD12 ' CD1' ' A' ' 851' ' ' LEU . 9.6 mt -93.92 18.65 10.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 64.420000000000002 110.877 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 70.530000000000001 110.906 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.948 0.404 . . . . 74.420000000000002 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 753' ' ' LEU . 6.1 mp -52.05 -46.09 64.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.55 73.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 72.030000000000001 111.083 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.64 -54.74 10.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 73.430000000000007 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.9 -35.41 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 64.329999999999998 111.173 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -70.83 -46.66 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.888 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -60.57 -39.28 87.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.140000000000001 110.853 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.64 -54.78 12.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 64.439999999999998 110.865 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -50.23 64.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 53.409999999999997 110.932 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -63.46 -45.8 89.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 110.841 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 11.4 t -58.44 -44.29 89.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 45.450000000000003 110.899 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.5 -61.45 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 64.450000000000003 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.48 -55.14 24.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.889 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.73 -45.47 70.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 74.329999999999998 110.864 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -59.22 -44.2 92.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.299999999999997 110.842 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 14.5 t -62.28 -58.55 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.340000000000003 110.852 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -55.62 -55.81 27.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 64.430000000000007 110.927 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -43.62 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 74.530000000000001 110.88 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -60.79 -57.92 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.83 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.12 -52.01 38.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.540000000000006 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -61.43 -32.19 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.530000000000001 110.844 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -66.06 -59.11 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.32 110.923 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.6 mm? -55.21 -46.74 75.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.319999999999993 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.7 tp -56.94 -51.65 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 110.925 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 776' ' ' LEU . 0.6 OUTLIER -53.98 -47.81 71.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 110.91 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.59 -39.16 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 71.439999999999998 111.138 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 774' ' ' LEU . 94.0 t -62.56 -62.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 111.129 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 6.3 t -54.12 -37.85 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 70.030000000000001 111.19 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -60.9 -56.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.829 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 32.4 mt -57.14 -40.75 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 71.519999999999996 111.128 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 778' ' ' VAL . 64.3 t -60.08 -46.53 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 54.25 111.136 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -71.77 -33.87 68.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 61.420000000000002 110.862 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -28.95 65.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.909 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.459 HD12 ' HD3' ' A' ' 788' ' ' ARG . 19.7 tp -85.0 -29.99 24.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -75.92 -17.89 79.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 52.439999999999998 112.493 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -85.9 -28.84 24.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 65.140000000000001 110.842 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . 0.459 ' HD3' HD12 ' A' ' 785' ' ' LEU . 6.6 ptm180 -90.87 11.54 22.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 110.907 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.58 -28.4 29.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 63.32 112.5 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -52.0 -41.43 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.751 0.31 . . . . 52.149999999999999 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -52.54 -53.42 46.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 74.219999999999999 110.827 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.69 -52.73 46.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.079 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.49 -52.52 54.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 72.219999999999999 110.912 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -54.26 -42.35 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 61.229999999999997 110.935 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -60.1 -53.87 52.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.319999999999993 110.923 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -54.57 -45.13 73.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 72.340000000000003 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -64.49 -54.59 29.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.961 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.75 -55.29 31.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 74.409999999999997 110.888 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.681 HD23 ' HE1' ' A' ' 803' ' ' TRP . 2.9 mp -57.99 -43.42 86.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 72.310000000000002 110.919 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.2 mt -54.5 -59.42 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.931 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.49 -33.82 76.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.876 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.15 -59.93 4.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.929 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.681 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.5 m95 -58.92 -47.42 85.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.51 . . . . 75.109999999999999 110.913 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.89 -61.16 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.120000000000005 110.848 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 74.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.47 -50.75 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.867 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.7 -35.5 78.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.51 -60.02 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.049999999999997 110.854 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -56.78 -44.29 81.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.299999999999997 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 16.1 t -63.51 -51.58 64.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 65.540000000000006 110.811 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.27 -52.68 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.239999999999995 111.125 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.79 -37.32 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.099999999999994 111.156 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -66.67 -36.23 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.6 tp -70.62 -43.55 69.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.931 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.14 -51.53 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 53.109999999999999 110.959 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -59.65 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 110.903 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.9 -43.29 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 75.129999999999995 111.097 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.8 m -62.6 -40.76 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 42.210000000000001 111.119 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.564 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.33 -33.41 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 63.149999999999999 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.22 -34.43 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.120000000000005 111.136 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.07 -25.89 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 52.130000000000003 111.126 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.612 HG22 ' CB ' ' A' ' 827' ' ' ASP . 1.4 p -86.6 -26.35 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 111.107 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -65.24 -24.46 67.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 55.409999999999997 111.075 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -75.98 -5.99 48.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 45.439999999999998 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -107.81 -151.32 16.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 62.140000000000001 112.467 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.0 m -83.14 -17.48 42.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 42.420000000000002 111.145 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.612 ' CB ' HG22 ' A' ' 822' ' ' VAL . 13.7 t70 -52.95 -35.96 59.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 45.299999999999997 110.895 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 832' ' ' VAL . 5.3 tmm_? -64.55 -60.05 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 74.230000000000004 110.878 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.66 -39.96 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 70.129999999999995 111.143 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 54.8 mt -69.06 -55.92 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 53.109999999999999 111.165 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -51.9 -39.68 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.843 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 828' ' ' ARG . 88.9 t -69.91 -50.21 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 70.319999999999993 111.154 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.85 -53.94 34.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 74.450000000000003 110.893 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.09 -40.57 94.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 45.109999999999999 110.889 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.47 -52.66 64.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 70.299999999999997 111.08 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.21 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 73.310000000000002 111.078 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.32 -61.23 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 63.439999999999998 110.907 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -49.59 -48.59 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 63.020000000000003 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.19 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 63.119999999999997 111.13 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.563 ' O ' HG22 ' A' ' 843' ' ' ILE . 19.4 tt -64.96 -14.84 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.25 111.086 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -74.1 -50.43 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.010000000000005 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.79 5.02 43.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 840' ' ' ILE . 10.5 tt -49.39 131.62 18.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 71.439999999999998 111.118 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -171.0 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 70.439999999999998 112.385 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -133.24 43.68 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 73.239999999999995 110.897 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -177.91 -45.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 63.420000000000002 110.884 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.95 -25.27 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 65.340000000000003 111.139 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -52.14 -38.84 58.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 72.120000000000005 110.859 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.95 -49.38 63.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 55.200000000000003 110.924 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.13 -46.23 88.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 43.43 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.79 -42.37 68.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 70.109999999999999 110.9 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -80.37 -28.55 37.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 64.340000000000003 110.904 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -66.77 -34.24 77.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.310000000000002 110.868 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.2 pt -92.28 15.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.131 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 855' ' ' LEU . 5.3 tp -108.66 -35.54 6.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 71.109999999999999 110.872 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 856' ' ' LEU . 3.8 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 53.520000000000003 110.903 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.932 0.396 . . . . 54.119999999999997 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.95 -32.54 33.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 73.340000000000003 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -65.83 -53.08 44.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 64.420000000000002 111.147 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 14.7 mt -58.92 -44.68 91.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 110.946 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.27 -46.9 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 64.310000000000002 111.123 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -57.95 -53.22 60.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.947 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -55.34 -49.05 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 110.884 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.95 -49.57 77.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 53.240000000000002 110.94 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.85 -59.89 4.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.874 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -55.49 -50.89 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 70.430000000000007 110.906 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 30.2 t -52.39 -47.16 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 53.119999999999997 110.806 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 12.7 tp -62.88 -40.2 96.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 71.219999999999999 110.945 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.28 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 53.420000000000002 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 4.1 tp -55.89 -51.27 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 54.399999999999999 110.908 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -54.24 -52.65 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.329999999999998 110.887 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 15.0 t -59.48 -33.38 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 54.229999999999997 110.845 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.0 -60.1 3.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.871 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -58.55 -42.46 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -63.6 -57.77 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 64.209999999999994 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 26.5 tp -50.89 -49.88 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -67.55 -28.08 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.519999999999996 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.7 -54.68 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 72.129999999999995 110.845 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 778' ' ' VAL . 9.4 mp -64.44 -44.08 92.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 72.409999999999997 110.928 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 775' ' ' LEU . 0.4 OUTLIER -61.47 -44.95 96.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 71.049999999999997 110.924 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.95 -52.58 63.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 55.420000000000002 110.936 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 22.3 mt -53.93 -55.94 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.400000000000006 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 782' ' ' VAL . 93.5 t -52.74 -57.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.150000000000006 111.129 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.407 HG23 HD13 ' A' ' 775' ' ' LEU . 19.5 p -53.96 -40.36 66.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.099999999999994 111.134 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -59.32 -50.43 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 110.876 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.1 -37.78 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.349999999999994 111.08 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 778' ' ' VAL . 89.7 t -65.61 -37.7 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 73.140000000000001 111.152 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -74.27 -46.34 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.319999999999993 110.88 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.61 -43.13 99.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 71.420000000000002 110.934 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 29.6 tp -77.3 -26.25 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 72.219999999999999 110.886 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.98 -27.87 31.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 65.230000000000004 112.475 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -76.73 -35.42 57.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 65.319999999999993 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -85.27 1.14 49.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 110.894 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -54.59 -25.65 36.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 60.119999999999997 112.461 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -52.1 -43.96 64.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.742 0.306 . . . . 54.5 110.9 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -60.18 -57.78 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 61.25 110.876 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.69 -53.27 40.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 62.119999999999997 111.099 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 76.3 mt -51.65 -54.89 23.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 65.010000000000005 110.939 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -43.05 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 70.409999999999997 110.86 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -59.25 -51.43 69.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 73.120000000000005 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -56.06 -44.14 78.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -66.21 -56.63 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.109999999999999 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -51.66 -52.83 44.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 73.120000000000005 110.951 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.654 HD23 ' HE1' ' A' ' 803' ' ' TRP . 3.3 mp -59.24 -43.26 92.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 70.239999999999995 110.926 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.46 -59.22 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 72.430000000000007 110.936 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.83 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 62.340000000000003 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.37 -59.32 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.120000000000005 110.94 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.654 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.3 m95 -59.42 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 64.109999999999999 110.902 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 6.2 t -51.89 -61.36 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 71.450000000000003 110.865 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -61.29 -32.46 72.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.530000000000001 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -62.79 -48.76 77.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 61.130000000000003 110.887 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.219999999999999 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -69.1 -58.23 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.219999999999999 110.863 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -56.7 -45.04 82.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.340000000000003 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.9 t -64.06 -49.52 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 63.509999999999998 110.887 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.62 -53.48 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 60.399999999999999 111.124 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . 0.602 ' HA ' HD23 ' A' ' 815' ' ' LEU . 48.4 t -62.97 -38.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 73.400000000000006 111.155 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.4 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 55.240000000000002 110.927 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 12.0 tp -71.67 -47.1 56.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 812' ' ' VAL . 0.5 OUTLIER -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.909 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -68.73 -60.65 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.400000000000006 110.898 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.53 -41.8 61.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 111.088 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 97.7 m -64.45 -41.37 96.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 73.230000000000004 111.116 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -66.41 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 52.299999999999997 111.135 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 44.8 mm -72.36 -34.91 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 75.430000000000007 111.143 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -83.75 -25.63 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.510000000000005 111.103 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.3 p -86.72 -26.59 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 111.118 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -77.88 -25.13 48.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 62.229999999999997 111.106 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -95.43 17.19 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 110.866 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -52.42 -80.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 75.239999999999995 112.533 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.7 t -62.18 -17.5 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.778 0.323 . . . . 74.120000000000005 111.113 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -61.09 -34.77 75.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 70.209999999999994 110.869 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.658 ' O ' HG23 ' A' ' 832' ' ' VAL . 22.5 mmt180 -65.55 -56.97 9.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.530000000000001 110.896 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.0 -44.9 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 111.166 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.28 -47.95 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 111.148 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -57.91 -36.42 72.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 65.540000000000006 110.939 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 828' ' ' ARG . 90.7 t -75.55 -60.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 65.040000000000006 111.092 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 833' ' ' LEU . 0.6 OUTLIER -51.59 -37.81 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.150000000000006 110.923 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . 0.426 ' NE2' ' HE ' ' A' ' 838' ' ' ARG . 3.6 tp60 -73.23 -55.61 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 51.229999999999997 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.55 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.137 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . 0.431 ' HB1' ' NH1' ' A' ' 853' ' ' ARG . . . -69.42 -52.79 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 44.130000000000003 111.072 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -52.11 -52.54 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 72.310000000000002 110.939 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.426 ' HE ' ' NE2' ' A' ' 834' ' ' GLN . 47.4 mtt-85 -64.01 -44.71 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 64.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -52.85 -57.68 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 6.7 tp -66.97 -30.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.229999999999997 111.156 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 20.6 ttm-85 -69.09 -27.89 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.030000000000001 110.863 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -91.07 -32.0 16.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 73.450000000000003 110.89 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.3 pt -140.77 74.33 27.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 72.140000000000001 111.138 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 91.65 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.274 . . . . 53.009999999999998 112.332 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -152.37 26.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 70.409999999999997 110.845 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.17 87.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 70.400000000000006 110.877 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 33.3 mt -83.01 -24.48 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 62.140000000000001 111.16 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -52.06 -30.05 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 53.210000000000001 110.866 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -51.98 -43.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.109999999999999 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.69 -53.54 30.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 70.120000000000005 112.501 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.16 -40.55 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.326 . . . . 70.209999999999994 110.879 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -76.13 -33.07 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 65.140000000000001 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . 0.431 ' NH1' ' HB1' ' A' ' 836' ' ' ALA . 28.0 mtp180 -62.03 -44.99 95.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 63.539999999999999 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.6 -35.8 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.89 -62.3 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 65.549999999999997 110.93 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.874 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.918 0.39 . . . . 73.340000000000003 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.9 -50.89 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.219999999999999 110.949 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.54 65.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 61.420000000000002 111.127 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 755' ' ' LEU . 3.1 tm? -71.25 -51.56 23.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 110.946 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 51.2 mm -59.3 -39.7 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 111.144 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -68.55 -53.36 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 72.299999999999997 110.926 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.48 -42.41 67.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 54.219999999999999 110.873 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.3 -55.19 17.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 55.5 110.813 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -53.13 48.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 65.349999999999994 110.905 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -57.44 -53.94 52.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.299999999999997 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 5.4 t -53.88 -42.33 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.299999999999997 110.891 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.25 -56.01 26.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.84 -59.01 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 58.1 mt -55.71 -35.64 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.925 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.26 -49.66 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 64.230000000000004 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 97.0 p -58.77 -51.59 69.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 52.119999999999997 110.834 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -60.91 -56.42 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.919 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -52.21 -40.67 61.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 64.230000000000004 110.833 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.78 -57.71 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 55.149999999999999 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 11.6 tp -49.65 -50.31 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -64.3 -32.64 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 64.340000000000003 110.87 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -62.34 -58.48 7.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 75.230000000000004 110.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 778' ' ' VAL . 7.7 mp -60.1 -47.93 83.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 72.239999999999995 110.895 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.71 -30.7 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 64.030000000000001 110.949 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 56.9 tp -70.53 -59.16 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.892 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 12.6 pt -55.17 -39.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.439999999999998 111.05 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 782' ' ' VAL . 75.5 t -67.3 -63.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.530000000000001 111.159 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.8 m -49.15 -34.35 14.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 43.399999999999999 111.144 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -69.67 -52.62 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 71.140000000000001 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 2.3 tp -60.44 -25.93 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.209999999999994 111.113 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 778' ' ' VAL . 46.9 t -76.88 -52.02 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 61.119999999999997 111.104 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.6 -31.59 72.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.430000000000007 110.901 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.3 tp -78.6 -50.88 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 74.329999999999998 110.871 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 785' ' ' LEU . 3.1 tt -69.74 -13.31 62.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 54.299999999999997 110.928 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -53.14 -50.74 50.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 73.120000000000005 112.498 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -83.64 -22.76 32.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 70.420000000000002 110.864 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -90.01 11.11 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.5 110.838 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -77.49 -15.94 80.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 70.430000000000007 112.5 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 31.7 t-105 -61.08 -62.17 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 53.240000000000002 110.92 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.67 -47.59 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.867 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -55.08 -55.78 27.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 70.319999999999993 111.095 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 45.6 mt -51.53 -51.63 53.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 62.140000000000001 110.924 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -45.04 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 63.420000000000002 110.902 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -58.26 -52.68 64.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 70.530000000000001 110.925 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -54.24 -45.34 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 74.340000000000003 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 13.3 t-105 -65.29 -56.64 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 63.340000000000003 110.898 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.74 -53.63 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 75.319999999999993 110.902 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.642 HD23 ' HE1' ' A' ' 803' ' ' TRP . 3.2 mp -58.56 -42.82 88.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.200000000000003 110.904 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 32.0 tp -54.56 -59.2 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 71.219999999999999 110.957 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -63.58 -33.68 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.866 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -62.51 -59.4 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.98 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.642 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.1 m95 -59.22 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 74.319999999999993 110.884 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.5 t -51.86 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 63.219999999999999 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.87 -35.02 73.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 73.129999999999995 110.904 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.6 -47.25 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 65.409999999999997 110.916 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 30.4 mt -68.98 -37.42 78.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 110.92 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.11 -58.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 53.439999999999998 110.909 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -57.64 -44.22 85.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.530000000000001 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.8 t -63.99 -51.14 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 61.409999999999997 110.833 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.17 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 70.439999999999998 111.137 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.29 -37.52 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.140000000000001 111.132 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.54 -35.92 81.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 65.519999999999996 110.9 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.1 -43.36 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 110.888 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 31.4 mt -63.31 -50.88 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.349999999999994 110.924 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -60.36 -58.3 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.540000000000006 110.88 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.61 53.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.039 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 47.8 m -63.22 -41.79 99.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 61.420000000000002 111.103 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.31 93.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 53.020000000000003 111.122 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.58 -35.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 64.519999999999996 111.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.87 48.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 41.149999999999999 111.153 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.636 HG22 ' CD ' ' A' ' 828' ' ' ARG . 70.4 t -86.54 -26.05 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 61.229999999999997 111.08 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.65 -23.33 64.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 71.219999999999999 111.139 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -93.29 17.14 11.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 71.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -177.05 114.57 0.48 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 75.219999999999999 112.437 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m -71.27 -17.46 62.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.74 0.305 . . . . 74.200000000000003 111.121 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -51.66 -38.26 54.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 62.310000000000002 110.872 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.636 ' CD ' HG22 ' A' ' 822' ' ' VAL . 11.9 mtt-85 -62.0 -60.17 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.88 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 822' ' ' VAL . 99.2 t -52.58 -44.9 46.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 111.076 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.582 HG22 ' OE1' ' A' ' 834' ' ' GLN . 43.5 mm -66.92 -33.77 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 73.230000000000004 111.125 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.36 -47.36 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 63.340000000000003 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.92 -34.44 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.319999999999993 111.163 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.37 -52.71 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 43.310000000000002 110.935 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . 0.582 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.6 pt20 -69.92 -41.12 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.96 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.76 -46.62 88.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 41.5 111.107 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.36 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 64.430000000000007 111.115 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -46.17 84.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.540000000000006 110.935 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -62.0 -48.16 81.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 110.814 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -54.85 -57.8 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.8 tp -62.08 -30.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 111.114 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -71.36 -31.0 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.871 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -83.83 -32.02 25.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 74.430000000000007 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 11.3 tt -145.02 131.49 9.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 64.140000000000001 111.134 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -46.79 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.713 2.275 . . . . 64.010000000000005 112.315 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 58.3 31.89 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 72.430000000000007 110.844 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -93.48 42.0 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 71.530000000000001 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.627 HG23 ' CD ' ' A' ' 848' ' ' ARG . 6.1 tp -82.94 -31.03 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.120000000000005 111.118 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . 0.627 ' CD ' HG23 ' A' ' 847' ' ' ILE . 0.6 OUTLIER -82.39 -53.65 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 63.109999999999999 110.858 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.08 -32.14 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 110.882 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.65 26.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 73.109999999999999 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.811 HD22 HD11 ' A' ' 854' ' ' ILE . 0.5 OUTLIER -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 74.299999999999997 110.925 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.67 -36.79 70.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.853 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -65.81 -43.68 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 110.815 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . 0.811 HD11 HD22 ' A' ' 851' ' ' LEU . 43.3 pt -72.03 -25.78 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 74.510000000000005 111.161 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -60.66 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.450000000000003 110.914 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.010000000000005 110.888 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.899 0.38 . . . . 71.340000000000003 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 754' ' ' ALA . 4.2 pp -52.25 -36.36 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.917 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.488 ' N ' HD12 ' A' ' 753' ' ' LEU . . . -62.25 -53.28 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 63.140000000000001 111.067 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 755' ' ' LEU . 4.5 mm? -58.2 -50.43 73.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 43.409999999999997 110.913 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 44.9 mm -55.75 -45.92 79.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 111.187 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -59.44 -54.51 45.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 74.049999999999997 110.906 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -52.68 -48.08 66.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 73.209999999999994 110.91 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.6 -48.27 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.530000000000001 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -60.19 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 42.310000000000002 110.924 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . 0.438 ' O ' HD13 ' A' ' 765' ' ' LEU . 15.3 ptm180 -59.63 -33.24 71.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 65.120000000000005 110.925 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 2.2 t -64.74 -48.73 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.839 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 763' ' ' LEU . 0.4 OUTLIER -65.42 -44.89 85.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 75.420000000000002 110.9 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 6.7 m -57.9 -59.37 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 65.239999999999995 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 761' ' ' ARG . 7.3 mp -57.94 -41.79 83.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.319999999999993 110.933 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.73 -54.24 48.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.430000000000007 110.862 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 80.9 p -56.47 -57.63 11.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 60.32 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -53.83 -58.26 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 75.549999999999997 110.91 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -52.23 -39.17 59.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 75.019999999999996 110.845 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -62.98 -58.02 8.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.319999999999993 110.84 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.7 -48.82 58.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 64.230000000000004 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -66.75 -29.72 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 74.400000000000006 110.881 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -68.12 -58.9 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.530000000000001 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -60.43 -43.91 96.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 63.229999999999997 110.906 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 779' ' ' THR . 10.1 tt -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.120000000000005 110.907 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.48 -54.57 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.937 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.33 -56.79 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 72.319999999999993 111.156 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 782' ' ' VAL . 89.3 t -51.75 -59.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 54.299999999999997 111.133 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 775' ' ' LEU . 53.5 p -51.78 -48.54 63.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 111.154 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . 0.461 ' NH1' HD13 ' A' ' 784' ' ' LEU . 9.6 tpt85 -53.81 -52.25 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 64.319999999999993 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.36 -39.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.010000000000005 111.157 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 778' ' ' VAL . 89.9 t -59.54 -44.49 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.122 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.35 -50.11 23.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 110.914 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.461 HD13 ' NH1' ' A' ' 780' ' ' ARG . 4.9 tp -57.23 -36.34 70.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.409999999999997 110.951 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 7.6 tp -78.87 -25.97 43.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 70.540000000000006 110.942 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -58.18 -47.9 86.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 44.329999999999998 112.524 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -85.36 -25.92 26.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 72.409999999999997 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -90.52 11.42 21.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.130000000000003 110.884 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.32 -40.54 53.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 72.010000000000005 112.461 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 31.7 t-105 -61.42 -62.14 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.714 0.293 . . . . 72.200000000000003 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.71 -54.78 37.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.901 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.23 38.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 63.409999999999997 111.074 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.71 -54.5 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 62.140000000000001 110.937 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -52.71 -42.13 64.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 110.887 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.77 -53.81 53.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 73.209999999999994 110.934 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -53.85 -46.73 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 75.140000000000001 110.861 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . 0.457 ' CZ3' HD23 ' A' ' 800' ' ' LEU . 16.0 t-105 -63.95 -54.85 28.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 72.310000000000002 110.934 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -53.46 -55.23 26.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.430000000000007 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.58 HD23 ' HE1' ' A' ' 803' ' ' TRP . 0.2 OUTLIER -58.72 -39.96 82.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 61.109999999999999 110.962 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.457 HD23 ' CZ3' ' A' ' 797' ' ' TRP . 54.0 tp -56.0 -58.42 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.140000000000001 110.895 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -59.37 -38.81 81.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.140000000000001 110.929 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.18 -60.22 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.958 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.58 ' HE1' HD23 ' A' ' 799' ' ' LEU . 37.0 m95 -58.39 -47.59 83.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 74.450000000000003 110.932 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.6 t -51.72 -61.24 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.829 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.02 -33.82 69.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.010000000000005 110.905 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -50.42 73.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.519999999999996 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.86 -35.37 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.229999999999997 110.934 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 71.519999999999996 110.855 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.8 -44.45 81.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 63.119999999999997 110.893 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.0 t -63.37 -51.46 65.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 54.009999999999998 110.871 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.25 -52.79 41.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.519999999999996 111.083 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.75 -37.37 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 75.430000000000007 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -66.63 -36.21 82.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.540000000000006 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.65 -43.49 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.15 -51.55 65.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.959 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -58.7 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 110.882 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.31 48.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 111.098 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.8 m -62.54 -40.85 98.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 111.156 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.25 -33.42 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 111.153 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.26 -34.4 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.120000000000005 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.85 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.540000000000006 111.051 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.3 p -86.59 -26.36 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 40.119999999999997 111.147 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.03 -25.22 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 55.329999999999998 111.146 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -93.55 17.15 12.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 54.140000000000001 110.899 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -56.47 -70.47 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 63.109999999999999 112.523 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.7 m -68.29 -17.46 64.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 71.25 111.124 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.75 -33.28 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 110.886 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 832' ' ' VAL . 25.7 mmt180 -66.92 -60.09 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.230000000000004 110.928 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 71.9 t -53.66 -43.83 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 42.25 111.131 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.571 HG22 ' OE1' ' A' ' 834' ' ' GLN . 41.5 mt -64.91 -54.75 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 111.189 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -51.93 -36.67 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.230000000000004 110.903 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 828' ' ' ARG . 88.5 t -72.55 -49.2 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 61.310000000000002 111.133 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 833' ' ' LEU . 0.6 OUTLIER -52.79 -50.56 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 51.409999999999997 110.931 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . 0.571 ' OE1' HG22 ' A' ' 830' ' ' ILE . 7.7 pt20 -68.0 -44.0 77.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.519999999999996 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -56.14 -58.82 6.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 72.239999999999995 111.112 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.11 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 74.540000000000006 111.078 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -51.02 -64.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 73.120000000000005 110.94 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -43.52 61.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 64.530000000000001 110.894 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.48 -62.38 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 111.112 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 10.5 tp -69.62 -14.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.439999999999998 111.119 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -67.64 -52.19 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 110.896 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -88.41 -26.64 22.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 110.85 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 21.7 mt -66.03 131.51 94.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.639 0.733 . . . . 74.209999999999994 111.132 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 83.15 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.664 2.243 . . . . 70.430000000000007 112.344 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -176.24 166.48 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.439999999999998 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -149.21 26.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 53.130000000000003 110.895 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 847' ' ' ILE . 0.0 OUTLIER -82.91 -26.01 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.530000000000001 111.114 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -81.22 -29.72 34.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.859 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -52.02 -50.9 60.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.140000000000001 110.881 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.88 -44.11 80.55 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 73.109999999999999 112.509 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 41.7 tp -51.68 -48.77 63.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 71.439999999999998 110.959 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.19 -35.15 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 60.140000000000001 110.913 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -52.09 -49.63 63.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.549999999999997 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 37.3 pt -77.48 -20.24 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 73.25 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 7.1 mt -93.86 18.85 9.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 74.340000000000003 110.971 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 43.329999999999998 110.925 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.889 0.376 . . . . 53.43 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.79 -55.59 21.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 70.030000000000001 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -54.87 -42.81 72.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.530000000000001 111.105 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.66 -54.34 47.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 110.896 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 50.6 mm -56.87 -48.96 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 64.239999999999995 111.137 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -57.95 -50.19 74.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.936 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -53.68 -54.99 30.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 74.040000000000006 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -57.27 -43.4 83.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 110.881 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -57.63 11.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 110.919 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -61.28 -37.06 81.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.019999999999996 110.855 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 6.6 p -62.33 -43.88 97.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.209999999999994 110.857 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.48 -53.02 32.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 73.340000000000003 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 42.2 t -56.86 -54.74 42.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 70.099999999999994 110.932 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 11.2 tp -56.57 -50.21 72.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.030000000000001 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.68 -43.81 85.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.340000000000003 110.909 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 68.1 m -58.54 -59.51 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 70.310000000000002 110.879 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -57.54 -55.63 32.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 75.140000000000001 110.967 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -52.74 -38.15 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 72.400000000000006 110.821 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.99 -57.94 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.109999999999999 110.847 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.76 -48.93 59.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.93 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -68.09 -28.9 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.329999999999998 110.839 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.55 -51.13 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.848 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 778' ' ' VAL . 29.3 tp -65.85 -44.12 86.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 74.519999999999996 110.923 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.16 -43.59 97.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.914 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.7 -53.06 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.944 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 27.0 mt -55.79 -59.06 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 111.124 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 782' ' ' VAL . 91.1 t -51.77 -59.19 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 61.439999999999998 111.122 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 89.2 m -51.68 -47.78 63.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 111.131 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -52.14 -55.26 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.430000000000007 110.917 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 50.4 mm -59.1 -43.09 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 63.240000000000002 111.169 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.761 ' HA ' HD23 ' A' ' 785' ' ' LEU . 86.6 t -55.49 -42.97 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.349999999999994 111.17 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -80.17 -25.34 39.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 72.540000000000006 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.6 mp -77.8 -22.19 50.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 75.430000000000007 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.9 OUTLIER -73.73 -21.07 60.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.871 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -55.79 -52.04 51.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 52.420000000000002 112.462 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -84.78 -23.31 29.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 75.140000000000001 110.875 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -90.48 11.46 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.439999999999998 110.824 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -74.46 -18.65 79.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 74.099999999999994 112.465 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -62.03 -62.37 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.693 0.282 . . . . 65.439999999999998 110.916 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.13 -48.53 64.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 75.409999999999997 110.881 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.75 87.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 72.239999999999995 111.092 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.4 -58.96 6.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -56.52 -39.28 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.349999999999994 110.882 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -58.65 -50.43 73.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 74.400000000000006 110.905 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 17.5 m95 -59.74 -46.75 88.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 71.109999999999999 110.928 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -62.23 -49.27 76.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 62.530000000000001 110.874 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.99 -48.82 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 71.219999999999999 110.884 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.404 HD12 ' HE1' ' A' ' 803' ' ' TRP . 1.8 mm? -54.38 -59.13 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.430000000000007 110.957 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.01 -57.42 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 62.299999999999997 110.935 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -54.57 -33.81 60.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 63.530000000000001 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -60.36 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 70.420000000000002 110.937 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.404 ' HE1' HD12 ' A' ' 799' ' ' LEU . 7.2 m95 -61.59 -47.34 85.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 73.230000000000004 110.927 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.2 t -51.86 -58.37 6.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 110.914 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -60.86 -34.58 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.230000000000004 110.956 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -49.79 76.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.932 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.38 -36.37 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 73.310000000000002 110.937 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -66.02 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 63.310000000000002 110.874 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -57.41 -44.19 84.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.829 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 19.8 t -63.61 -51.59 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.019999999999996 110.83 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.45 45.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.299999999999997 111.087 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.08 -37.28 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 111.15 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -66.81 -35.9 81.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 73.549999999999997 110.867 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.07 -43.37 67.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.43 -50.78 68.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 71.319999999999993 110.873 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.47 -58.3 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.120000000000005 110.89 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -42.77 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 111.106 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 822' ' ' VAL . 48.5 m -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 60.200000000000003 111.152 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 61.350000000000001 111.08 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 47.8 mm -67.98 -35.69 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 74.510000000000005 111.125 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.08 -27.1 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.540000000000006 111.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 818' ' ' THR . 78.5 t -86.53 -27.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.010000000000005 111.098 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -86.46 4.05 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.409999999999997 111.073 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.49 17.22 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 64.329999999999998 110.89 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -72.84 -138.33 0.29 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 62.509999999999998 112.461 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 3.6 m -61.96 -17.49 57.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.337 . . . . 51.43 111.148 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.449 ' HA ' HD12 ' A' ' 830' ' ' ILE . 0.7 OUTLIER -53.37 -37.42 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 72.329999999999998 110.869 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.639 ' O ' HG23 ' A' ' 832' ' ' VAL . 25.9 mmt180 -62.78 -59.46 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.858 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.31 -39.27 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.420000000000002 111.091 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.536 HG22 ' OE1' ' A' ' 834' ' ' GLN . 25.9 mt -64.29 -59.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.409999999999997 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -51.76 -38.51 55.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.88 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 828' ' ' ARG . 68.3 t -69.85 -43.32 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 41.329999999999998 111.133 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -56.88 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 110.907 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . 0.536 ' OE1' HG22 ' A' ' 830' ' ' ILE . 7.6 pt20 -59.66 -46.93 87.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.129999999999995 110.884 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.1 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 71.540000000000006 111.106 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.51 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 63.140000000000001 111.08 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -63.48 -60.19 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.918 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -50.83 -45.13 59.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.439999999999998 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.43 98.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 73.420000000000002 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 18.2 mt -64.6 -31.44 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -75.43 -38.74 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.450000000000003 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -70.66 -33.22 70.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 53.530000000000001 110.833 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 22.7 pt -145.24 141.9 17.67 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.727 . . . . 74.510000000000005 111.147 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.31 9.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 72.219999999999999 112.368 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -170.12 168.02 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 65.209999999999994 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -121.81 58.73 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 64.140000000000001 110.891 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 44.9 pt -78.24 -25.01 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 73.239999999999995 111.164 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -25.31 55.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.140000000000001 110.912 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -52.33 -37.58 56.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 64.040000000000006 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.61 -54.38 26.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 71.140000000000001 112.444 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.649 HD13 HD23 ' A' ' 855' ' ' LEU . 0.2 OUTLIER -56.2 -45.96 79.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 64.299999999999997 110.924 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -37.53 80.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 110.864 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -58.75 -47.87 83.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 70.120000000000005 110.907 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 28.0 pt -73.73 -32.52 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 65.230000000000004 111.115 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.649 HD23 HD13 ' A' ' 851' ' ' LEU . 0.9 OUTLIER -64.24 -33.72 76.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.869 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.869 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 56.9 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.926 0.393 . . . . 74.420000000000002 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 756' ' ' ILE . 0.5 OUTLIER -52.43 -45.43 65.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 110.885 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.43 77.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 62.210000000000001 111.161 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.91 -54.96 14.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 44.32 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . 0.953 HD11 HD22 ' A' ' 753' ' ' LEU . 16.6 pt -60.05 -37.48 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 63.310000000000002 111.119 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -65.57 -51.15 61.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.450000000000003 110.917 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.84 -45.72 82.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 74.129999999999995 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -62.63 -43.05 99.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 43.299999999999997 110.898 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -47.64 84.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 54.229999999999997 110.924 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -62.03 -50.63 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 65.420000000000002 110.878 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -54.93 23.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.409999999999997 110.884 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.58 -38.3 84.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 74.120000000000005 110.917 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 53.0 t -58.61 -63.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 63.229999999999997 110.923 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.07 -50.03 75.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.230000000000004 110.905 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -52.13 -53.94 36.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 72.430000000000007 110.865 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 28.1 t -58.23 -43.38 87.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.219999999999999 110.865 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.42 -60.52 3.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.486 . . . . 74.340000000000003 110.869 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.37 -41.59 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 73.120000000000005 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -62.56 -57.95 9.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.897 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 6.0 tt -49.89 -50.83 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.919 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -64.28 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 65.420000000000002 110.848 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -58.81 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 778' ' ' VAL . 17.8 tp -60.14 -46.94 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.540000000000006 110.874 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 779' ' ' THR . 18.0 tp -61.12 -32.15 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 65.439999999999998 110.929 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 36.7 tp -69.48 -60.35 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.944 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 9.9 tt -53.39 -41.32 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 52.530000000000001 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 782' ' ' VAL . 76.0 t -64.81 -62.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 52.109999999999999 111.117 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 775' ' ' LEU . 66.8 p -52.87 -28.68 24.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 75.099999999999994 111.118 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.1 tpp85 -70.55 -59.2 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 41.4 mm -58.69 -31.38 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 61.439999999999998 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 778' ' ' VAL . 96.6 t -71.92 -50.15 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 111.134 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.24 -32.98 74.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 62.219999999999999 110.875 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.9 tp -74.48 -44.3 52.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.424 ' O ' HD23 ' A' ' 785' ' ' LEU . 2.1 tt -73.84 -22.64 59.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 72.209999999999994 110.887 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.35 -27.49 24.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 75.030000000000001 112.479 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -52.37 -42.55 64.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 71.150000000000006 110.852 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -103.87 -25.77 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.409999999999997 110.869 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -61.05 -18.57 55.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.784 -0.722 . . . . 73.040000000000006 112.493 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -49.47 64.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.696 0.284 . . . . 73.010000000000005 110.91 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -52.07 -57.78 8.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 74.319999999999993 110.884 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.22 -51.2 56.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 62.329999999999998 111.104 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 25.2 mt -50.29 -58.64 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 74.349999999999994 110.92 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -43.68 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 72.340000000000003 110.951 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -55.05 -61.89 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 72.340000000000003 110.912 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -48.33 -45.4 35.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 74.519999999999996 110.935 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -65.73 -34.45 78.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.310000000000002 110.913 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -66.98 -56.07 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.8 -51.13 70.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 53.140000000000001 110.982 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.71 -59.17 5.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.903 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -54.48 -33.97 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 110.948 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -59.16 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -58.27 -47.45 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 74.409999999999997 110.897 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.4 t -52.29 -61.09 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.240000000000002 110.888 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -57.98 -33.3 68.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 74.420000000000002 110.93 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -50.34 74.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 60.210000000000001 110.85 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.07 -35.4 78.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 74.430000000000007 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -67.09 -59.74 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 54.329999999999998 110.884 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -56.87 -44.58 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 61.109999999999999 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.7 t -63.22 -51.55 65.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 61.539999999999999 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.76 41.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.340000000000003 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.76 -37.36 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 63.140000000000001 111.121 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -66.62 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.66 -43.46 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.926 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.26 -51.52 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.91 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -59.59 -58.71 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.129999999999995 110.913 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.88 -43.27 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 65.439999999999998 111.081 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.1 m -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 63.439999999999998 111.171 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.55 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.25 -33.48 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 65.040000000000006 111.115 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.28 -34.34 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.5 111.129 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.17 -25.82 29.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.329999999999998 111.075 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.39 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.144 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -79.24 -25.2 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 52.020000000000003 111.113 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -94.57 17.2 13.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.510000000000005 110.907 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -52.81 -87.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 71.200000000000003 112.433 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.9 m -62.02 -17.54 57.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 73.420000000000002 111.166 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.6 -36.19 44.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.209999999999994 110.873 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 49.6 mtt-85 -63.92 -58.93 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 110.862 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 95.9 t -54.01 -41.55 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.509999999999998 111.141 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.37 -34.79 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 111.144 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.42 -47.81 66.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.91 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.16 -38.67 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 75.400000000000006 111.106 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.7 -40.98 84.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 65.230000000000004 110.942 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.76 -53.29 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.219999999999999 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.55 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 73.430000000000007 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -55.98 -59.64 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 65.209999999999994 111.057 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . 0.712 ' HA ' HD12 ' A' ' 840' ' ' ILE . 13.8 t80 -56.47 -40.29 74.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 71.340000000000003 110.909 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -55.96 -50.86 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 74.25 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.14 94.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 52.32 111.119 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 837' ' ' TYR . 20.8 mt -59.82 -39.57 80.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 51.340000000000003 111.102 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -83.32 -25.81 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 110.891 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -32.11 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.310000000000002 110.85 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.0 pt -143.22 77.18 15.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.588 0.709 . . . . 55.219999999999999 111.106 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -47.13 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 70.519999999999996 112.323 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -53.47 104.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 75.450000000000003 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -176.88 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 73.540000000000006 110.826 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.481 HD13 ' N ' ' A' ' 847' ' ' ILE . 0.2 OUTLIER -55.37 -21.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 65.239999999999995 111.14 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -65.58 -62.74 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 74.329999999999998 110.874 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -56.8 -41.44 77.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 62.420000000000002 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.81 -49.72 57.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 63.350000000000001 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.15 -44.39 83.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 75.030000000000001 110.906 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -73.45 -29.11 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.019999999999996 110.914 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 38.8 ttt85 -72.21 -43.06 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.540000000000006 110.858 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 35.6 pt -73.4 -26.05 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.43 111.153 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -39.53 91.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.239999999999995 110.946 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 65.420000000000002 110.891 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.885 0.374 . . . . 71.239999999999995 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.96 -32.52 33.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 75.239999999999995 110.93 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.18 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.510000000000005 111.118 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.37 -44.93 89.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 62.109999999999999 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.78 -46.05 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.340000000000003 111.068 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -58.77 -52.71 64.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 72.340000000000003 110.931 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -55.3 -49.96 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.109999999999999 110.844 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.08 -50.92 72.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 61.450000000000003 110.881 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.45 -59.97 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 71.409999999999997 110.904 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -54.08 -50.27 67.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 54.229999999999997 110.854 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 8.7 t -53.61 -43.79 68.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 64.430000000000007 110.854 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.72 -55.64 28.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.010000000000005 110.912 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 5.1 t -55.67 -59.4 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 9.7 mp -52.34 -38.91 59.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 74.219999999999999 110.93 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.73 -52.09 66.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.430000000000007 110.867 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.0 t -58.51 -54.11 50.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 51.509999999999998 110.85 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -56.66 -54.84 41.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 73.120000000000005 110.92 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -52.8 -40.52 63.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 74.430000000000007 110.874 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -62.29 -57.98 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 3.4 tt -49.91 -50.43 46.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.914 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -63.86 -32.27 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -63.19 -58.82 5.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.865 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 778' ' ' VAL . 15.3 tp -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.409999999999997 110.894 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -32.11 71.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 72.349999999999994 110.958 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.68 -61.46 1.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 73.519999999999996 110.952 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 5.9 tt -52.98 -42.9 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 73.109999999999999 111.122 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 782' ' ' VAL . 74.7 t -62.87 -63.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.040000000000006 111.103 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.2 m -52.0 -44.36 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.104 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . 0.521 ' O ' HD13 ' A' ' 784' ' ' LEU . 19.1 tpp180 -56.17 -53.76 53.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.919 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 30.7 mt -61.01 -42.04 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 111.163 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.748 ' HA ' HD23 ' A' ' 785' ' ' LEU . 98.7 t -56.47 -43.69 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 73.329999999999998 111.163 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -80.09 -25.31 40.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 110.856 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 780' ' ' ARG . 5.4 mp -77.93 -22.31 49.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.936 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.9 OUTLIER -73.5 -22.81 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 64.109999999999999 110.91 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.09 -28.11 24.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 64.510000000000005 112.5 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -58.56 -24.6 61.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 64.540000000000006 110.898 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -52.53 -30.35 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 70.530000000000001 110.872 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -54.55 -25.25 34.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 63.420000000000002 112.503 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -62.52 -55.69 25.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.728 0.299 . . . . 72.230000000000004 110.923 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -52.15 -54.24 33.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 63.140000000000001 110.912 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.51 -53.06 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 55.210000000000001 111.106 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.41 -55.57 17.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 43.130000000000003 110.913 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -51.92 -42.82 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 110.886 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -58.43 -54.13 50.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 74.409999999999997 110.938 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -53.46 -48.06 69.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 75.109999999999999 110.907 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -62.92 -57.75 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.109999999999999 110.93 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -50.86 -49.34 59.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 72.340000000000003 110.855 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.627 HD23 ' HE1' ' A' ' 803' ' ' TRP . 2.7 mp -59.58 -45.96 90.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 60.43 110.901 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -59.42 4.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 71.109999999999999 110.919 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -62.82 -34.34 77.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.884 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.86 -59.89 4.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 64.430000000000007 110.949 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.627 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.2 m95 -58.21 -47.75 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 74.230000000000004 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.5 t -51.85 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -57.84 -33.68 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.925 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.89 -50.46 73.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 64.040000000000006 110.861 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 71.230000000000004 110.918 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.540000000000006 110.898 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -56.96 -44.31 82.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.0 t -63.52 -51.41 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 70.310000000000002 110.867 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.56 44.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 74.5 111.156 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.05 -37.28 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 71.230000000000004 111.103 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.73 -35.88 81.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 110.902 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.17 -43.19 67.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.923 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.51 -50.76 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 52.539999999999999 110.945 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.66 -58.25 9.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 53.229999999999997 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.27 -43.15 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 111.144 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.554 ' O ' HG23 ' A' ' 822' ' ' VAL . 50.0 m -63.13 -41.26 99.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 54.530000000000001 111.122 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.39 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 72.409999999999997 111.077 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.59 -35.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 111.119 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.06 -28.01 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 50.310000000000002 111.118 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 818' ' ' THR . 71.9 t -86.52 -25.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.46 -24.02 64.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 63.210000000000001 111.096 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.34 17.12 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 71.340000000000003 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -171.29 104.65 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.737 . . . . 64.239999999999995 112.52 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m -67.09 -17.5 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 70.040000000000006 111.165 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.621 ' HA ' HD12 ' A' ' 830' ' ' ILE . 1.9 p30 -51.83 -51.85 53.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 74.519999999999996 110.861 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 832' ' ' VAL . 8.0 tpt180 -51.93 -51.5 56.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.885 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.38 -37.73 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.131 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 827' ' ' ASP . 20.4 mt -67.27 -53.15 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 111.122 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.33 -37.04 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.430000000000007 110.851 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 828' ' ' ARG . 95.6 t -74.61 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.120000000000005 111.099 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' ' 833' ' ' LEU . 0.7 OUTLIER -51.78 -39.88 59.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.450000000000003 110.908 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -70.49 -55.44 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.430000000000007 110.925 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.54 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.310000000000002 111.122 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -62.59 -55.31 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.150000000000006 111.15 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -51.79 -57.09 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.95 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -53.87 -45.89 71.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 73.430000000000007 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.51 -61.72 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 111.12 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.404 ' HA ' ' HB ' ' A' ' 843' ' ' ILE . 10.9 tp -60.72 -17.78 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.030000000000001 111.146 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -74.79 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -85.73 0.61 52.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.857 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.496 HD13 ' N ' ' A' ' 844' ' ' PRO . 0.0 OUTLIER -49.09 130.95 15.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 72.530000000000001 111.138 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . 0.496 ' N ' HD13 ' A' ' 843' ' ' ILE . 54.2 Cg_endo -69.71 78.85 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 71.540000000000006 112.387 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -147.09 179.47 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 61.219999999999999 110.896 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -95.84 164.84 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 33.6 pt -57.43 -28.77 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 64.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -57.36 -26.16 60.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 52.409999999999997 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -51.93 -57.91 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.439999999999998 110.913 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.2 91.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 45.140000000000001 112.48 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 18.2 tp -51.94 -42.69 63.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.76 0.314 . . . . 74.140000000000001 110.929 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -86.21 -33.37 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 110.875 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.59 70.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.843 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -74.35 -13.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 63.340000000000003 111.112 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 855' ' ' LEU . 3.3 tp -87.25 -40.48 14.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 72.230000000000004 110.93 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 61.329999999999998 110.919 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.861 0.363 . . . . 62.409999999999997 110.82 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.06 -58.8 5.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 61.509999999999998 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -53.48 -41.17 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 54.310000000000002 111.082 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.31 -51.76 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 62.229999999999997 110.877 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.23 -54.18 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 111.126 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -52.89 -55.2 25.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 61.340000000000003 110.907 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -52.63 -58.58 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 65.420000000000002 110.899 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -51.93 -36.12 48.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 63.329999999999998 110.895 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -60.55 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 74.219999999999999 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -51.63 -45.15 63.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.91 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 1.4 p -58.05 -58.28 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 72.439999999999998 110.852 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 20.5 mt -53.02 -37.0 61.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 70.439999999999998 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.99 -63.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 63.520000000000003 110.882 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.85 -47.48 77.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 45.5 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -58.84 -45.25 90.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.903 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 5.0 m -59.07 -47.71 84.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 65.25 110.896 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -59.13 -58.28 9.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 72.409999999999997 110.966 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -55.98 -41.79 75.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 63.350000000000001 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 16.9 ttt-85 -62.39 -57.95 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.400000000000006 110.898 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.93 -50.23 47.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 72.140000000000001 110.918 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -64.11 -32.2 73.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 73.319999999999993 110.848 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.24 -58.88 5.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 62.350000000000001 110.829 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 778' ' ' VAL . 33.0 tp -59.41 -47.59 84.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.941 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.01 -32.06 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 70.099999999999994 110.951 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 46.1 tp -69.01 -61.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.219999999999999 110.929 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 4.8 tp -52.94 -42.83 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 111.146 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 782' ' ' VAL . 72.7 t -63.33 -63.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.200000000000003 111.094 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -51.39 -33.19 28.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 72.530000000000001 111.184 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -66.25 -56.24 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.540000000000006 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.82 -27.77 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 70.150000000000006 111.168 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 778' ' ' VAL . 92.7 t -71.35 -53.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 74.230000000000004 111.122 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -63.04 -35.04 78.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 110.926 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.2 tp -73.77 -39.4 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 70.409999999999997 110.943 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 23.9 tp -75.79 -25.11 56.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.329999999999998 110.914 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.33 -29.2 29.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.725 . . . . 51.109999999999999 112.453 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -52.42 -54.26 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.761 0.315 . . . . 75.010000000000005 110.859 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.26 11.45 34.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 64.299999999999997 110.814 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -58.5 -20.38 45.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 44.039999999999999 112.458 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -51.94 -49.29 63.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.747 0.308 . . . . 73.430000000000007 110.934 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.33 -56.83 16.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 73.120000000000005 110.909 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.55 -53.29 39.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 51.030000000000001 111.101 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.33 -56.53 10.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 74.010000000000005 110.895 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -44.21 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 72.439999999999998 110.922 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -56.45 -58.55 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 65.140000000000001 110.934 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . 0.439 ' O ' HD12 ' A' ' 800' ' ' LEU . 26.7 m95 -52.03 -42.2 62.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 62.229999999999997 110.925 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -64.66 -50.07 68.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 110.925 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -61.02 -58.6 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 61.329999999999998 110.876 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -47.43 63.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 70.219999999999999 110.937 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 796' ' ' TRP . 12.4 mt -55.4 -58.61 7.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 73.519999999999996 110.885 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -57.43 -33.85 68.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 50.109999999999999 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -60.12 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.299999999999997 110.885 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -57.27 -47.4 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 50.219999999999999 110.909 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 2.2 t -51.85 -61.22 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 72.120000000000005 110.826 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -57.83 -33.37 68.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 74.239999999999995 110.927 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -50.48 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 72.340000000000003 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.94 -35.25 78.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 60.119999999999997 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -67.19 -59.72 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 110.928 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -56.74 -44.66 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 72.040000000000006 110.885 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.3 t -63.3 -51.25 66.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 110.84 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.78 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.200000000000003 111.113 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.75 -37.4 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.049999999999997 111.109 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -66.54 -36.28 82.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 70.120000000000005 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.65 -43.45 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 64.319999999999993 110.961 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.17 -51.54 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 60.420000000000002 110.936 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -58.7 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 70.540000000000006 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.28 48.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 71.439999999999998 111.097 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.59 -40.79 98.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 111.141 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.3 -33.42 74.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 53.210000000000001 111.127 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.29 -34.36 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 75.200000000000003 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.12 -25.92 29.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.5 111.067 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.58 -26.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 64.310000000000002 111.085 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.86 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 64.430000000000007 111.131 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -77.21 -5.83 50.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 110.871 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -117.6 -177.31 17.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 74.120000000000005 112.501 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.4 m -82.28 -17.48 45.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 63.530000000000001 111.143 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.19 -39.29 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 62.149999999999999 110.841 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -53.15 56.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 73.510000000000005 110.87 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 34.9 t -54.1 -52.45 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 111.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 830' ' ' ILE . 0.0 OUTLIER -65.53 -30.73 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 65.329999999999998 111.17 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 75.140000000000001 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 70.3 t -74.75 -38.59 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 63.420000000000002 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.33 -47.16 87.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 62.310000000000002 110.94 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -73.45 -49.36 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.540000000000006 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.86 -42.94 76.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 111.136 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -72.14 -55.35 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 55.149999999999999 111.092 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.25 -44.67 65.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 70.349999999999994 110.896 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -70.7 -43.95 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 62.100000000000001 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -53.58 -41.57 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.085 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.631 HD12 HD12 ' A' ' 847' ' ' ILE . 12.4 tt -82.88 -32.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 72.319999999999993 111.127 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -67.87 -28.13 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.099999999999994 110.903 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.509 ' O ' HD13 ' A' ' 843' ' ' ILE . 9.4 m-70 -102.87 -31.84 10.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 62.210000000000001 110.863 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 842' ' ' HIS . 45.2 mm -140.31 79.23 21.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 73.140000000000001 111.119 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 79.22 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.709 2.273 . . . . 73.319999999999993 112.321 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -152.39 126.23 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.430000000000007 110.854 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? 58.54 95.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 110.891 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.631 HD12 HD12 ' A' ' 840' ' ' ILE . 30.6 mm -82.3 -54.0 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 64.099999999999994 111.124 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -52.15 -35.92 49.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.239999999999995 110.916 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.19 -47.96 65.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 854' ' ' ILE . . . -70.14 -51.4 23.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 63.200000000000003 112.521 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.72 -23.01 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 62.310000000000002 110.934 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -91.39 -49.13 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.25 110.868 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -59.65 -26.07 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.219999999999999 110.851 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 850' ' ' GLY . 2.2 pp -90.13 -24.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 52.439999999999998 111.149 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -44.04 97.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 110.918 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 50.539999999999999 110.953 179.859 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.906 0.384 . . . . 71.340000000000003 110.795 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 6.1 mp -51.8 -55.5 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 54.439999999999998 110.961 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -52.3 -46.37 65.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.25 111.096 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.48 -54.49 43.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 62.210000000000001 110.9 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 47.9 mm -53.43 -52.16 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 62.310000000000002 111.125 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -58.86 -44.41 91.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 74.450000000000003 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -53.49 -53.87 45.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.120000000000005 110.858 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -67.44 -38.88 85.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.27 -52.44 65.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 61.219999999999999 110.934 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -67.1 -48.6 67.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 75.239999999999995 110.876 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 7.0 t -54.11 -50.1 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 110.853 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 763' ' ' LEU . 0.4 OUTLIER -65.36 -42.12 93.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 65.010000000000005 110.949 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.31 -57.03 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.9 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.86 -48.86 78.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 74.010000000000005 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -57.67 -45.39 85.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 110.863 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.9 t -58.85 -57.63 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 63.130000000000003 110.886 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -52.51 -51.65 58.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 75.230000000000004 110.873 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.26 -41.27 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 71.120000000000005 110.844 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 13.1 ttt85 -61.72 -57.55 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 63.310000000000002 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.91 -51.15 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.908 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -28.54 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 110.898 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.97 -57.53 6.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 110.886 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 778' ' ' VAL . 0.8 OUTLIER -60.89 -43.91 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 73.140000000000001 110.894 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.08 -40.76 98.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.329999999999998 110.908 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.62 -54.86 33.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.9 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 42.4 mm -56.82 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.150000000000006 111.157 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 782' ' ' VAL . 93.6 t -51.57 -58.17 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.150000000000006 111.115 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 96.1 m -53.12 -47.52 68.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.1 -52.73 49.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.826 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.82 -44.11 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.230000000000004 111.115 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.781 ' HA ' HD23 ' A' ' 785' ' ' LEU . 61.6 t -55.22 -42.06 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.349999999999994 111.097 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -80.34 -25.31 39.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 73.420000000000002 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.1 mp -77.62 -22.85 50.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 65.510000000000005 110.911 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.9 OUTLIER -73.16 -22.54 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 64.040000000000006 110.94 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.14 -27.74 23.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 61.229999999999997 112.513 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -80.43 -53.96 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 75.150000000000006 110.902 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -61.24 -25.9 67.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.85 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -53.74 -27.18 34.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 61.539999999999999 112.539 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -52.96 -59.39 4.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.31 . . . . 74.140000000000001 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -53.13 -53.69 46.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 65.5 110.87 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.94 30.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 71.310000000000002 111.108 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 49.2 mt -51.7 -53.16 42.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 75.349999999999994 110.884 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -53.48 -41.74 66.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.319999999999993 110.874 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -60.85 -51.25 70.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 110.882 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -55.53 -46.58 77.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 74.329999999999998 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -65.44 -55.13 19.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 74.430000000000007 110.931 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.8 -53.54 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 54.450000000000003 110.897 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.676 HD23 ' HE1' ' A' ' 803' ' ' TRP . 2.9 mp -59.43 -43.31 93.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 73.120000000000005 110.905 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 30.9 tp -54.77 -59.27 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.239999999999995 110.876 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.05 -32.92 74.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 60.229999999999997 110.935 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -62.87 -59.15 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.909 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.676 ' HE1' HD23 ' A' ' 799' ' ' LEU . 25.1 m95 -59.84 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 72.340000000000003 110.926 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.3 t -52.06 -61.27 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.871 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -61.45 -31.93 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.150000000000006 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.13 -48.5 78.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 72.430000000000007 110.872 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.38 -35.1 75.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 63.240000000000002 110.884 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 812' ' ' VAL . 18.2 tttm -69.32 -57.86 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.510000000000005 110.896 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -57.75 -45.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 110.89 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 21.8 t -63.13 -51.13 67.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 54.109999999999999 110.857 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.44 -52.56 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 33.049999999999997 111.096 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 808' ' ' LYS . 46.8 t -62.95 -37.23 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 60.32 111.139 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -66.88 -35.87 81.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 70.430000000000007 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.11 -43.21 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 63.310000000000002 110.954 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.8 mt -63.55 -50.87 67.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.63 -58.29 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.349999999999994 110.833 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.24 52.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 41.039999999999999 111.081 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.3 m -63.05 -41.26 99.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 63.340000000000003 111.153 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.45 93.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 55.340000000000003 111.07 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.65 -35.56 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 72.340000000000003 111.125 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.15 -28.05 48.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 61.109999999999999 111.105 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 818' ' ' THR . 71.1 t -86.59 -25.78 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 111.103 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.75 -25.16 63.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 61.340000000000003 111.128 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -77.3 -5.75 50.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 64.120000000000005 110.864 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -99.2 165.31 20.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 64.040000000000006 112.51 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.5 m -81.38 -17.53 48.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 74.409999999999997 111.125 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.95 -43.07 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.010000000000005 110.88 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.532 ' HG2' HG12 ' A' ' 822' ' ' VAL . 7.2 mmt85 -59.03 -51.43 70.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.239999999999995 110.833 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 49.5 t -57.04 -59.34 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 830' ' ' ILE . 0.0 OUTLIER -57.34 -30.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.150000000000006 111.168 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -67.06 -45.7 76.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 34.539999999999999 110.869 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 828' ' ' ARG . 66.6 t -67.34 -39.08 82.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 70.25 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.85 -55.58 14.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 73.530000000000001 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -59.94 -36.35 76.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.239999999999995 110.928 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -70.54 -55.11 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 61.149999999999999 111.111 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . 0.684 ' O ' HG23 ' A' ' 840' ' ' ILE . . . -50.35 -53.16 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 72.140000000000001 111.153 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . 0.427 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -62.47 -49.57 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.420000000000002 110.885 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -52.7 -28.42 21.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.84 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -80.41 -49.42 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.049999999999997 111.152 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -65.8 -15.77 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.530000000000001 111.106 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -95.8 -42.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -70.62 -32.03 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.839 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 10.2 pt -145.07 71.77 14.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 54.340000000000003 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.55 38.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.246 . . . . 65.040000000000006 112.344 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 27.9 tpt85 63.13 38.58 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 73.239999999999995 110.849 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 25.3 ttp85 -174.82 33.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.907 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 31.0 pt -82.9 -29.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.340000000000003 111.164 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -52.15 -44.37 64.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.120000000000005 110.861 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -52.38 -29.88 26.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.519999999999996 110.924 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.88 -53.96 10.41 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 62.420000000000002 112.479 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.46 -35.15 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.724 0.297 . . . . 55.329999999999998 110.83 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -76.18 -37.17 58.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.420000000000002 110.87 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -65.61 -40.96 93.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 32.3 pt -74.62 -25.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.25 111.082 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.584 ' HB3' HD23 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -62.89 -61.14 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 70.200000000000003 110.872 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 855' ' ' LEU . 2.2 pt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.219999999999999 110.926 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.945 0.403 . . . . 71.530000000000001 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.8 -56.01 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 73.409999999999997 110.897 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -51.85 -46.43 64.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 71.209999999999994 111.117 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 19.3 mt -55.21 -54.59 41.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.230000000000004 110.945 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 43.4 mm -53.4 -52.57 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 71.219999999999999 111.144 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -58.43 -44.66 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 73.409999999999997 110.933 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -53.31 -54.57 34.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.140000000000001 110.866 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.61 -38.74 87.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.828 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.62 -59.81 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.030000000000001 110.944 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -61.44 -48.27 81.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.049999999999997 110.85 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.7 t -53.76 -47.92 70.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.895 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.8 -50.78 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.049999999999997 110.933 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.02 -60.63 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.868 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.83 -37.53 66.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 53.240000000000002 110.86 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -65.9 -45.0 83.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 62.240000000000002 110.85 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 53.6 p -61.64 -47.35 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 72.239999999999995 110.895 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -63.17 -59.41 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 74.340000000000003 110.904 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -52.12 -38.8 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.140000000000001 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -63.21 -58.08 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.540000000000006 110.912 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 771' ' ' LEU . 0.5 OUTLIER -50.61 -48.78 57.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 44.0 110.922 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -66.92 -29.82 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 54.439999999999998 110.904 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -68.1 -58.94 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -60.38 -43.84 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 65.010000000000005 110.946 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 779' ' ' THR . 10.5 tt -62.34 -42.32 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 110.861 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.57 -54.43 43.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 53.140000000000001 110.906 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.4 mm -55.44 -56.8 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.162 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 782' ' ' VAL . 87.9 t -51.66 -59.81 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 62.140000000000001 111.152 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 775' ' ' LEU . 53.5 p -51.97 -46.77 64.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 111.171 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -53.07 -60.59 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.1 mm -52.01 -42.95 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.209999999999994 111.163 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 778' ' ' VAL . 84.1 t -57.09 -45.99 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 62.219999999999999 111.166 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.95 -47.83 76.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 70.219999999999999 110.858 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.05 -26.49 68.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 110.961 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.6 -23.93 56.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.420000000000002 110.868 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -53.15 -46.17 62.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 64.420000000000002 112.492 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -84.23 -24.15 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 54.409999999999997 110.866 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.51 11.49 21.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 71.299999999999997 110.874 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -53.34 -28.91 36.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 73.349999999999994 112.501 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -82.84 -62.06 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 74.140000000000001 110.915 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -52.1 -55.79 18.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.040000000000006 110.868 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.25 -52.09 48.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.149999999999999 111.085 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.27 -57.04 9.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 75.540000000000006 110.923 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -51.71 -41.68 61.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.902 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -58.38 -58.87 6.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -50.54 -46.33 57.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 73.040000000000006 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -62.69 -56.14 20.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.140000000000001 110.943 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -53.29 -56.53 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 65.420000000000002 110.888 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mt -54.46 -41.16 69.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.430000000000007 110.907 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 800' ' ' LEU . 3.4 tm? -57.1 -56.76 17.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 54.130000000000003 110.954 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.881 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -60.26 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 63.43 110.891 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -57.57 -47.62 81.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 75.319999999999993 110.908 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.0 t -51.5 -61.33 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.040000000000006 110.847 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -57.65 -33.97 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 61.149999999999999 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.48 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.899 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.43 -35.71 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 75.209999999999994 110.876 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -66.92 -59.95 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 110.912 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.82 -44.42 77.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.9 t -64.39 -49.87 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.439999999999998 110.83 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.54 -53.37 38.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 111.093 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . 0.599 ' HA ' HD23 ' A' ' 815' ' ' LEU . 68.4 t -63.18 -38.44 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 54.340000000000003 111.101 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -65.61 -33.5 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 64.329999999999998 110.905 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -47.0 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 72.519999999999996 110.855 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 812' ' ' VAL . 0.5 OUTLIER -65.12 -34.92 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 51.229999999999997 110.904 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.33 -60.35 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -51.83 -41.81 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 111.167 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 822' ' ' VAL . 98.5 m -64.9 -41.74 95.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 111.106 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.71 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 71.310000000000002 111.112 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 43.9 mm -67.72 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.019999999999996 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -75.54 -27.47 58.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 53.219999999999999 111.05 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 818' ' ' THR . 75.2 t -86.63 -26.07 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 65.540000000000006 111.11 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -73.56 -25.3 60.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 63.409999999999997 111.1 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -93.38 17.09 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 70.409999999999997 110.897 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -127.73 64.54 0.59 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.702 -0.761 . . . . 74.409999999999997 112.452 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 7.2 m -71.18 -17.51 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.747 0.308 . . . . 65.120000000000005 111.108 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -52.92 -41.53 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 74.150000000000006 110.922 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -60.74 -51.98 67.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.010000000000005 110.854 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 47.2 t -55.85 -57.26 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 111.147 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 830' ' ' ILE . 0.0 OUTLIER -60.25 -30.86 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 75.129999999999995 111.106 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.3 -63.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 75.530000000000001 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.22 -35.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 111.144 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.51 -60.66 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 52.43 110.883 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.59 -34.28 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 75.409999999999997 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.21 32.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 55.520000000000003 111.089 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.72 64.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.099 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.24 -40.27 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.946 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -57.51 -50.09 74.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.140000000000001 110.84 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.81 97.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.140000000000001 111.13 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 32.6 mm -64.34 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 71.239999999999995 111.128 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -71.2 -41.97 69.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.893 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -71.07 -31.65 68.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 65.150000000000006 110.84 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 39.0 mt -134.72 77.25 58.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.656 0.741 . . . . 75.109999999999999 111.112 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -48.01 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 71.239999999999995 112.314 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 52.06 86.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 63.530000000000001 110.858 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -56.89 -26.31 58.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 110.882 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 44.2 mm -75.52 -35.22 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 75.109999999999999 111.101 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . 0.641 ' HG2' HD11 ' A' ' 851' ' ' LEU . 17.6 ttm180 -69.01 -26.19 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 75.530000000000001 110.855 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -60.11 -30.92 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 75.150000000000006 110.901 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 854' ' ' ILE . . . -74.87 -54.06 6.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 75.140000000000001 112.464 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.641 HD11 ' HG2' ' A' ' 848' ' ' ARG . 3.9 pp -61.76 -30.51 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 70.329999999999998 110.891 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . 0.608 ' N ' HD12 ' A' ' 851' ' ' LEU . 43.9 tp10 -79.42 -44.83 20.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.140000000000001 110.875 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -59.39 -44.83 92.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 60.509999999999998 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 850' ' ' GLY . 26.3 pt -68.73 -28.02 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 111.137 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.482 ' HB3' HD23 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -62.65 -61.42 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.140000000000001 110.903 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.563 HD21 ' OE1' ' A' ' 852' ' ' GLU . 1.7 pt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 72.329999999999998 110.881 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.897 0.38 . . . . 63.420000000000002 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 754' ' ' ALA . 2.4 pp -51.97 -46.34 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 70.310000000000002 110.934 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.458 ' N ' HD12 ' A' ' 753' ' ' LEU . . . -62.85 -33.14 74.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 52.32 111.102 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 19.5 tp -69.76 -54.82 11.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 54.32 110.928 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 18.3 pt -59.86 -36.37 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.230000000000004 111.181 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -67.91 -52.47 36.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.879 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -55.19 -45.05 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 74.010000000000005 110.895 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -62.86 -51.43 67.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 73.010000000000005 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -46.84 64.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.030000000000001 110.95 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -69.0 -34.03 74.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 6.6 p -65.14 -44.17 89.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 70.299999999999997 110.888 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.422 ' O ' HD13 ' A' ' 763' ' ' LEU . 0.4 OUTLIER -71.23 -47.63 56.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 74.140000000000001 110.9 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 12.9 t -59.89 -49.51 77.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 110.85 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.89 -52.17 61.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 63.299999999999997 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -56.48 -47.21 79.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.049999999999997 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 16.6 m -58.53 -59.37 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.219999999999999 110.837 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -55.44 -57.93 9.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 51.539999999999999 110.895 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -39.1 59.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 71.540000000000006 110.829 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -62.77 -58.29 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 64.329999999999998 110.854 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.9 tp -50.65 -48.63 58.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 63.409999999999997 110.903 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . 0.485 ' O ' HD13 ' A' ' 776' ' ' LEU . 66.0 ttp85 -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.230000000000004 110.844 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.8 -58.92 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 70.219999999999999 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 778' ' ' VAL . 23.5 tp -60.61 -42.17 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 27.0 mt -59.53 -45.61 91.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.93 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 772' ' ' ARG . 5.0 mp -62.39 -54.45 40.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 75.420000000000002 110.909 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 41.8 mm -55.69 -60.09 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 54.020000000000003 111.125 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 782' ' ' VAL . 91.2 t -51.53 -58.64 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 63.119999999999997 111.169 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 98.2 m -51.73 -47.82 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.109999999999999 111.147 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -52.27 -55.57 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.010000000000005 110.9 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.58 -44.32 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.439999999999998 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.783 ' HA ' HD23 ' A' ' 785' ' ' LEU . 80.7 t -54.71 -42.38 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 60.030000000000001 111.149 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -80.28 -25.26 39.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 74.030000000000001 110.926 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.1 mp -77.74 -22.22 50.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 73.239999999999995 110.978 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.9 OUTLIER -73.76 -23.03 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 63.399999999999999 110.907 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.64 -52.49 37.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 63.219999999999999 112.492 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -85.44 -21.27 28.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 72.140000000000001 110.875 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -90.26 11.38 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 60.439999999999998 110.869 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.91 -28.83 33.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 72.329999999999998 112.45 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . 0.638 ' HA ' HD23 ' A' ' 793' ' ' LEU . 8.0 t-105 -73.99 -52.57 12.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.7 0.286 . . . . 71.150000000000006 110.902 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -50.94 -41.32 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 54.439999999999998 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -62.06 -59.2 5.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 51.509999999999998 111.092 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 790' ' ' TRP . 0.4 OUTLIER -52.36 -33.19 41.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 110.905 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -45.77 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.420000000000002 110.907 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.5 -49.95 75.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 110.947 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -59.94 -46.56 89.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 63.310000000000002 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -62.65 -49.65 74.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 75.150000000000006 110.878 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.05 -60.53 3.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.310000000000002 110.885 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 1.2 mp -51.88 -44.64 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.891 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.78 -58.31 8.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 64.420000000000002 110.892 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.48 -31.02 67.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 110.868 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -60.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 110.954 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -58.79 -47.32 85.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 73.510000000000005 110.863 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 8.5 t -52.06 -61.01 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 44.020000000000003 110.879 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -58.48 -33.26 69.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 72.530000000000001 110.878 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -49.76 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.239999999999995 110.921 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.27 -34.98 77.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.927 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -68.04 -58.98 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.239999999999995 110.899 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -57.15 -44.87 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 65.040000000000006 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 27.7 t -63.13 -51.41 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.400000000000006 110.83 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.7 43.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 63.539999999999999 111.081 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.76 -37.33 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 61.219999999999999 111.138 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.66 -36.3 82.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 54.049999999999997 110.852 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.61 -43.44 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.91 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.25 -51.55 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 62.530000000000001 110.95 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -59.65 -58.66 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 75.109999999999999 110.9 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.32 49.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.519999999999996 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.2 m -62.64 -40.6 97.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.510000000000005 111.168 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.29 -33.46 74.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 111.13 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.3 -34.31 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 111.152 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.2 -25.72 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 31.420000000000002 111.13 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.400000000000006 111.162 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -86.73 4.09 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 111.106 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -124.23 17.19 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 43.329999999999998 110.889 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -65.21 -110.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 31.43 112.513 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 15.3 t -80.96 -17.5 50.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 62.109999999999999 111.188 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.04 -43.66 63.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.030000000000001 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -58.62 -35.72 72.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.230000000000004 110.922 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.424 ' HA ' HG12 ' A' ' 832' ' ' VAL . 21.8 t -76.2 -34.81 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.409999999999997 111.156 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.6 mm -73.32 -40.47 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 111.162 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.84 -42.3 67.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 73.239999999999995 110.903 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 829' ' ' VAL . 7.2 p -67.44 -36.85 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 61.219999999999999 111.142 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.14 -54.44 12.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 65.349999999999994 110.867 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -60.76 -37.9 83.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.15 -54.54 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 111.101 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.63 96.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 111.072 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -57.03 -62.18 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 63.119999999999997 110.908 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -43.89 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.099999999999994 110.904 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -51.59 -53.17 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.125 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.4 tt -79.6 -10.71 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 70.349999999999994 111.12 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -75.79 -43.95 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.329999999999998 110.868 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -106.87 -15.18 14.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 64.510000000000005 110.889 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 72.2 mt -139.49 87.31 13.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.555 0.693 . . . . 63.350000000000001 111.136 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.81 15.15 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.712 2.275 . . . . 73.099999999999994 112.378 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -158.32 26.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 110.828 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.12 29.96 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 110.885 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.25 -26.9 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.430000000000007 111.132 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -27.49 59.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.876 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -51.96 -32.17 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 72.209999999999994 110.873 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -63.57 -55.05 27.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 75.409999999999997 112.496 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 851' ' ' LEU . 4.8 tt -66.4 -28.61 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 75.120000000000005 110.929 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -78.11 -28.6 48.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 70.430000000000007 110.897 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -80.82 -35.79 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 71.030000000000001 110.859 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 15.4 pt -91.42 15.16 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 72.25 111.124 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.96 -60.62 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.020000000000003 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 72.120000000000005 110.87 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.948 0.404 . . . . 64.540000000000006 110.798 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 42.1 mt -54.76 -47.02 74.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.054 -0.521 . . . . 62.020000000000003 110.933 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.83 63.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 60.210000000000001 111.126 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 20.9 tp -70.32 -55.63 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 65.549999999999997 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . 0.45 HD12 ' N ' ' A' ' 757' ' ' TRP . 2.6 pp -67.04 -36.56 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 70.209999999999994 111.15 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . 0.45 ' N ' HD12 ' A' ' 756' ' ' ILE . 11.6 t-105 -67.45 -44.99 77.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 73.239999999999995 110.849 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.08 -44.95 90.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 44.32 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -62.31 -49.11 76.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.109999999999999 110.838 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.97 -57.59 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 64.239999999999995 110.907 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . 0.457 ' O ' HD13 ' A' ' 765' ' ' LEU . 13.5 ptm180 -58.93 -31.95 69.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 74.310000000000002 110.875 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 29.2 t -65.75 -54.69 23.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 63.240000000000002 110.879 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.4 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 74.030000000000001 110.934 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 2.1 m -58.48 -60.19 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 73.230000000000004 110.881 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 761' ' ' ARG . 7.1 mp -58.01 -36.17 72.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.921 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -61.73 -59.12 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.895 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.5 t -56.02 -53.54 55.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 54.450000000000003 110.875 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -54.25 -55.17 30.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 110.889 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.420000000000002 110.901 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -61.21 -58.09 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 65.109999999999999 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.6 tp -50.23 -51.88 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 64.209999999999994 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -62.04 -31.61 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.420000000000002 110.871 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -65.98 -59.19 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.030000000000001 110.88 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.01 -48.67 75.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.450000000000003 110.926 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.219999999999999 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.09 -41.51 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 53.329999999999998 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 40.1 mm -66.08 -58.74 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.540000000000006 111.143 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.77 ' O ' HG23 ' A' ' 782' ' ' VAL . 7.3 p -51.53 -43.95 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 62.130000000000003 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 778' ' ' VAL . 98.8 m -61.7 -52.74 63.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 60.350000000000001 111.149 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . 0.436 ' HG3' HD12 ' A' ' 784' ' ' LEU . 12.1 tpt180 -50.79 -45.45 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 72.420000000000002 110.905 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 43.1 mm -62.91 -45.17 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.510000000000005 111.119 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.786 ' HA ' HD23 ' A' ' 785' ' ' LEU . 86.0 t -55.63 -40.71 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 71.230000000000004 111.161 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -79.83 -26.54 40.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 65.140000000000001 110.872 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.436 HD12 ' HG3' ' A' ' 780' ' ' ARG . 0.2 OUTLIER -76.4 -23.67 54.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 61.310000000000002 110.901 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 782' ' ' VAL . 0.8 OUTLIER -74.58 -13.85 60.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 70.239999999999995 110.867 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -81.79 -30.28 36.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 72.349999999999994 112.459 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -85.39 -37.41 19.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 64.519999999999996 110.904 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -59.84 -23.91 63.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 65.340000000000003 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -69.09 -24.17 75.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 73.430000000000007 112.526 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . 0.607 ' HA ' HD23 ' A' ' 793' ' ' LEU . 26.9 t-105 -82.87 -54.67 4.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 74.129999999999995 110.927 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -49.74 -43.21 47.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.200000000000003 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -58.88 -58.78 7.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 50.530000000000001 111.08 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . 0.607 HD23 ' HA ' ' A' ' 790' ' ' TRP . 0.4 OUTLIER -52.96 -33.23 50.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 71.519999999999996 110.934 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -67.23 -45.33 77.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.937 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -61.9 -47.19 86.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 72.209999999999994 110.905 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -58.99 -47.8 83.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 73.049999999999997 110.922 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -65.86 -48.51 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.340000000000003 110.956 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -57.64 -57.3 13.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.319999999999993 110.893 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . 0.573 HD23 ' HE1' ' A' ' 803' ' ' TRP . 4.8 mp -57.36 -41.47 80.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 73.150000000000006 110.906 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 800' ' ' LEU . 2.8 tm? -54.84 -59.17 5.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 52.520000000000003 110.944 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 110.937 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -62.73 -60.18 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 72.239999999999995 110.935 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . 0.573 ' HE1' HD23 ' A' ' 799' ' ' LEU . 24.7 m95 -57.88 -48.06 80.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 63.409999999999997 110.895 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 4.7 t -52.1 -61.05 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 72.439999999999998 110.885 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -57.79 -32.82 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 53.200000000000003 110.928 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.85 -50.29 74.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 74.230000000000004 110.885 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.2 -35.15 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 54.25 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -67.51 -59.44 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.878 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -56.95 -44.72 82.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 72.400000000000006 110.897 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.4 t -63.19 -51.31 66.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 62.32 110.895 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.79 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 55.530000000000001 111.041 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 82.1 t -62.81 -37.32 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 65.25 111.129 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 55.030000000000001 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.0 tp -70.64 -43.52 69.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 65.219999999999999 110.906 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.11 -51.63 65.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 52.509999999999998 110.956 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -58.73 7.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.906 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.77 -43.24 48.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.540000000000006 111.074 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 51.3 m -62.65 -40.82 98.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 71.430000000000007 111.149 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.26 -33.56 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 111.059 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.6 mm -72.19 -34.36 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.549999999999997 111.117 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.16 -25.84 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.340000000000003 111.15 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.713 HG23 ' HB2' ' A' ' 828' ' ' ARG . 1.4 p -86.62 -26.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 61.039999999999999 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -70.3 -24.07 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 111.099 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -96.13 -5.54 40.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.109999999999999 110.9 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.02 119.67 1.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 41.140000000000001 112.487 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 5.4 t -77.86 -17.58 57.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 65.150000000000006 111.14 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 830' ' ' ILE . 14.5 t70 -51.98 -41.44 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.881 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.713 ' HB2' HG23 ' A' ' 822' ' ' VAL . 13.5 mtp180 -59.31 -56.69 18.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 73.040000000000006 110.875 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 822' ' ' VAL . 60.0 t -54.55 -40.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 111.192 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 827' ' ' ASP . 37.0 mt -64.25 -58.66 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 75.219999999999999 111.178 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.97 -37.51 53.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 72.030000000000001 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 828' ' ' ARG . 91.6 t -72.48 -49.33 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 64.519999999999996 111.098 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.67 -49.24 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 52.039999999999999 110.965 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.76 -41.87 71.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.299999999999997 110.876 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.91 -52.27 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.122 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -68.18 -50.96 50.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 50.25 111.134 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -52.09 -51.34 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 74.209999999999994 110.97 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -66.95 -38.96 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 71.030000000000001 110.838 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.17 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.472 ' O ' HD13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -86.44 -26.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 111.168 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -73.73 -27.56 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 74.150000000000006 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -108.51 -31.36 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.129999999999995 110.838 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 79.0 mt -134.18 80.97 51.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 74.310000000000002 111.173 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 100.15 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 74.099999999999994 112.323 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -174.53 71.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 71.349999999999994 110.91 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -177.92 -35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.239999999999995 110.821 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 20.3 pt -51.77 -30.01 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 62.210000000000001 111.129 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 41.0 mmt-85 -64.24 -62.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 74.310000000000002 110.845 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -58.74 -40.33 83.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.310000000000002 110.94 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -65.15 -53.88 30.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 31.129999999999999 112.508 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.7 -46.06 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 61.109999999999999 110.92 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.51 -36.11 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.129999999999995 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -65.04 -35.76 82.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 26.1 pt -92.36 15.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.430000000000007 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 855' ' ' LEU . 5.4 tp -108.1 -46.82 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.953 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 65.310000000000002 110.931 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.95 0.405 . . . . 72.340000000000003 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 20.5 mt -51.93 -57.7 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.049999999999997 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -52.24 -44.71 65.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.540000000000006 111.087 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.43 -54.22 46.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 64.5 110.917 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.94 -49.7 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.109999999999999 111.111 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -57.43 -52.01 67.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 72.319999999999993 110.916 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -52.73 -46.85 67.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.409999999999997 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -61.99 -56.73 16.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.31 -59.96 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 71.430000000000007 110.883 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -52.57 -52.76 53.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 62.210000000000001 110.898 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 46.9 t -54.21 -42.05 69.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 70.349999999999994 110.82 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.63 -52.7 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 75.219999999999999 110.901 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.81 -58.04 10.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 74.310000000000002 110.876 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 64.2 mt -52.89 -50.4 63.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -58.42 -41.4 84.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.099999999999994 110.898 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.9 t -59.22 -56.47 21.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 70.349999999999994 110.805 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.57 -55.13 38.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 52.530000000000001 110.9 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -53.38 -40.36 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.010000000000005 110.85 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -62.53 -58.13 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.019999999999996 110.828 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 56.6 mt -49.89 -50.19 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 62.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.895 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.95 -56.62 15.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 74.209999999999994 110.87 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.833 HD12 HD11 ' A' ' 777' ' ' ILE . 11.6 tp -60.49 -49.2 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.439999999999998 110.941 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.2 -31.55 70.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.91 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 777' ' ' ILE . 3.4 tt -69.16 -57.49 5.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.914 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . 0.833 HD11 HD12 ' A' ' 774' ' ' LEU . 22.3 pt -58.02 -34.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 111.134 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 774' ' ' LEU . 53.1 t -67.94 -63.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.120000000000005 111.112 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 10.9 t -55.36 -29.81 59.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 111.074 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -69.61 -59.44 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 73.319999999999993 110.897 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.86 -33.66 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 111.107 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 778' ' ' VAL . 83.9 t -73.8 -37.99 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 70.129999999999995 111.145 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -75.98 -28.92 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.519999999999996 110.919 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 2.0 tp -81.06 -42.92 20.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 75.430000000000007 110.964 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.75 -25.54 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.96 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -56.81 -44.98 91.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 62.210000000000001 112.462 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -85.91 -25.79 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 74.299999999999997 110.902 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -90.55 11.48 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.439999999999998 110.881 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -53.78 -26.72 33.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 75.400000000000006 112.494 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -59.61 -58.99 6.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.755 0.312 . . . . 74.540000000000006 110.896 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -54.25 -53.71 49.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 64.049999999999997 110.902 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.22 -54.21 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 73.450000000000003 111.079 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.72 -52.34 49.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 70.129999999999995 110.945 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -54.12 -41.04 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.319999999999993 110.899 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.3 -54.45 43.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.95 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -53.35 -45.36 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 73.549999999999997 110.919 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -66.0 -51.18 60.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 110.927 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -55.14 -56.43 20.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 75.310000000000002 110.884 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 -42.11 85.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 65.439999999999998 110.945 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tt -53.85 -58.42 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.329999999999998 110.939 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -59.23 -38.61 80.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 52.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -60.33 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.922 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -58.79 -47.27 85.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 73.120000000000005 110.944 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 3.7 t -51.85 -61.17 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 74.209999999999994 110.892 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -58.16 -33.95 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 64.450000000000003 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -50.16 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.898 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.02 -35.52 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 63.409999999999997 110.915 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -59.47 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 54.229999999999997 110.893 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.18 -44.34 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.120000000000005 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 28.4 t -63.5 -51.42 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.843 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.41 -52.45 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.549999999999997 111.129 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.0 -37.36 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 64.230000000000004 111.111 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -66.64 -36.31 82.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 62.539999999999999 110.939 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 814' ' ' LEU . 0.7 OUTLIER -70.76 -43.38 68.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.899 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.22 -51.51 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 73.439999999999998 110.944 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -58.61 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.86 -43.28 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 61.219999999999999 111.098 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.65 -40.72 97.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.530000000000001 111.169 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.29 -33.45 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 52.130000000000003 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.5 mm -72.24 -34.39 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.150000000000006 111.108 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.14 -25.88 29.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 111.114 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.57 -26.4 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 111.147 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.7 -24.72 64.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.25 111.124 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -75.44 -6.41 49.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 54.310000000000002 110.902 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -95.64 162.83 23.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 74.019999999999996 112.473 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.27 -17.45 45.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 74.340000000000003 111.139 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -57.02 -37.22 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -64.43 -60.17 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 39.5 t -54.46 -46.19 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 111.123 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.572 HG22 ' OE1' ' A' ' 834' ' ' GLN . 51.3 mt -65.68 -34.84 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.099999999999994 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.7 -49.88 71.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 110.922 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -34.45 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 111.128 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.36 -59.21 5.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.349999999999994 110.94 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . 0.572 ' OE1' HG22 ' A' ' 830' ' ' ILE . 5.3 pt20 -62.39 -43.17 99.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 53.100000000000001 110.885 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.71 18.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 51.340000000000003 111.101 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.2 -59.29 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 53.210000000000001 111.053 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -53.06 -50.68 63.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 75.409999999999997 110.935 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -47.86 -57.71 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.109999999999999 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 843' ' ' ILE . . . -52.91 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.040000000000006 111.079 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 23.2 mt -51.68 -25.33 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 65.299999999999997 111.102 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.33 -55.75 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.833 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 839' ' ' ALA . 3.5 p-80 -90.83 8.19 36.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 74.129999999999995 110.846 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.629 HD12 ' HB1' ' A' ' 839' ' ' ALA . 31.5 mt -104.95 130.86 22.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 73.349999999999994 111.127 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 79.39 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.655 2.236 . . . . 71.310000000000002 112.341 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -172.11 151.1 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 110.881 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -122.65 85.12 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.903 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 46.4 mm -82.9 -26.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.530000000000001 111.151 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -27.46 66.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 72.5 110.84 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -52.04 -56.09 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 64.25 110.918 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -71.33 -39.64 61.65 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 75.120000000000005 112.511 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.11 -44.21 74.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 74.239999999999995 110.898 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -83.44 -31.31 26.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -60.19 -38.61 83.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.877 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.64 -30.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.230000000000004 111.1 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.519 ' HB3' HD23 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -61.94 -62.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.941 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 855' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.966 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.893 0.378 . . . . 74.319999999999993 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . 0.823 HD13 HD11 ' A' ' 756' ' ' ILE . 4.4 mm? -54.78 -45.35 74.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 43.140000000000001 110.895 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -62.51 -32.67 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 63.530000000000001 111.134 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.42 -54.7 11.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 110.881 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . 0.823 HD11 HD13 ' A' ' 753' ' ' LEU . 20.1 pt -60.06 -35.38 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 73.239999999999995 111.093 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -70.75 -46.28 63.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.921 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.82 -39.57 89.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.239999999999995 110.873 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -69.4 -54.69 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.02 -52.43 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 60.100000000000001 110.882 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -60.71 -54.12 49.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 73.510000000000005 110.865 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 14.2 t -52.16 -45.17 64.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.893 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.49 -42.23 98.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 62.520000000000003 110.937 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 7.6 t -59.93 -62.79 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 4.8 tp -55.24 -52.27 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 53.5 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -54.33 -45.49 72.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.140000000000001 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 4.9 m -57.92 -53.01 63.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 73.200000000000003 110.865 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -55.4 -60.79 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.219999999999999 110.93 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -53.16 -40.29 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 71.530000000000001 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.57 -57.95 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.319999999999993 110.863 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.06 -49.49 51.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.922 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.1 -31.59 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.851 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -63.62 -56.83 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 60.149999999999999 110.874 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 778' ' ' VAL . 4.5 mm? -61.81 -45.44 93.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 60.130000000000003 110.902 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 779' ' ' THR . 70.3 mt -63.08 -31.22 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 72.239999999999995 110.876 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 777' ' ' ILE . 4.8 tt -70.75 -54.48 11.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 781' ' ' ILE . 5.9 tp -59.97 -36.67 68.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.138 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 782' ' ' VAL . 61.3 t -68.73 -63.02 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 72.150000000000006 111.123 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 775' ' ' LEU . 7.4 t -55.59 -28.47 55.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.164 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -71.29 -57.71 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 74.239999999999995 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . 0.725 HD11 HD11 ' A' ' 777' ' ' ILE . 82.8 mt -60.49 -37.54 75.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 778' ' ' VAL . 97.2 t -68.8 -46.33 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.229999999999997 111.177 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -64.91 -39.91 94.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.340000000000003 110.858 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.0 tp -67.42 -45.53 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 70.430000000000007 110.924 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.03 -1.26 47.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.129999999999995 110.894 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.33 -27.9 26.02 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 71.099999999999994 112.489 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -84.85 -35.87 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 65.140000000000001 110.894 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.43 11.34 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.831 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -73.24 -16.7 78.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 63.200000000000003 112.491 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -58.96 -62.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 64.340000000000003 110.905 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.77 -48.58 63.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 71.340000000000003 110.864 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.83 52.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 54.229999999999997 111.114 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 15.2 mt -50.54 -56.45 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 72.310000000000002 110.94 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -51.95 -44.8 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 64.019999999999996 110.908 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -54.74 -62.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 63.210000000000001 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -47.39 -47.19 26.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 74.310000000000002 110.926 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -62.65 -39.68 94.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 64.120000000000005 110.908 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -66.33 -56.46 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 60.109999999999999 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 36.6 mt -52.0 -49.58 63.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 73.530000000000001 110.88 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -57.58 11.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.919 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -56.11 -33.49 65.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.929 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -60.31 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.94 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -58.84 -46.79 86.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 54.350000000000001 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.7 t -52.49 -60.99 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 35.009999999999998 110.843 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -58.25 -33.86 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 63.140000000000001 110.938 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.03 -50.21 74.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.239999999999995 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.01 -35.6 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -59.85 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.885 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.81 -44.41 81.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.882 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 34.9 t -63.4 -51.72 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.842 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.12 -52.53 42.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 54.210000000000001 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.09 -37.18 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 55.130000000000003 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -66.82 -35.77 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.329999999999998 110.91 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.22 -43.3 67.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 70.530000000000001 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 37.7 mt -63.48 -50.8 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 63.130000000000003 110.932 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -58.15 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 70.150000000000006 110.865 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -50.3 -43.17 53.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 63.130000000000003 111.091 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 822' ' ' VAL . 49.6 m -63.07 -41.52 99.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 111.167 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.48 93.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 62.439999999999998 111.095 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.69 -35.6 70.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.540000000000006 111.161 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.55 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.210000000000001 111.115 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 828' ' ' ARG . 72.8 t -86.51 -28.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 74.010000000000005 111.119 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -63.19 -23.92 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.25 111.085 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -80.03 -5.81 56.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 62.329999999999998 110.817 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -124.99 -177.9 15.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 64.109999999999999 112.501 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . 0.452 HG22 HG12 ' A' ' 830' ' ' ILE . 2.9 m -80.97 -17.56 50.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 72.040000000000006 111.143 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.563 ' HB3' HG13 ' A' ' 822' ' ' VAL . 21.6 t0 -51.65 -37.19 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.409999999999997 110.861 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.612 ' HB2' HG12 ' A' ' 822' ' ' VAL . 9.0 tpt180 -63.11 -60.2 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.835 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 99.0 t -52.69 -45.52 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 111.154 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.597 HG22 ' NE2' ' A' ' 834' ' ' GLN . 43.2 mm -65.48 -39.83 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 75.230000000000004 111.134 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.2 -52.37 65.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.85 -35.46 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 61.020000000000003 111.135 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.71 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . 0.597 ' NE2' HG22 ' A' ' 830' ' ' ILE . 1.7 pt20 -63.11 -44.75 94.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 43.310000000000002 110.88 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.43 -51.99 65.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 61.32 111.088 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.84 98.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 43.119999999999997 111.098 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -55.78 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.919 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -43.12 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 71.329999999999998 110.865 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -50.93 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 54.350000000000001 111.117 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 19.7 tt -71.63 -11.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.184 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -78.94 -33.97 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.861 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -110.33 -6.93 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.498 HD13 ' N ' ' A' ' 844' ' ' PRO . 0.0 OUTLIER -49.61 130.71 19.7 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.616 0.722 . . . . 74.040000000000006 111.08 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . 0.498 ' N ' HD13 ' A' ' 843' ' ' ILE . 53.8 Cg_endo -69.79 124.19 10.83 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.651 2.234 . . . . 72.519999999999996 112.284 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -52.41 103.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 72.329999999999998 110.892 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -175.29 93.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 71.349999999999994 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . 0.476 HD12 ' H ' ' A' ' 847' ' ' ILE . 5.3 mp -75.09 -26.86 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 53.539999999999999 111.16 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -52.14 -57.25 10.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 110.864 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -53.36 -38.92 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.952 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -67.67 -45.88 72.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 33.530000000000001 112.514 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 851' ' ' LEU . 0.5 OUTLIER -60.19 -42.69 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 74.239999999999995 110.943 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.22 -28.92 57.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 75.340000000000003 110.816 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -67.72 -44.78 76.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.109999999999999 110.882 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 51.4 pt -71.24 -26.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 63.219999999999999 111.155 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -61.53 -60.77 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 63.0 110.894 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 855' ' ' LEU . 4.3 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.895 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.948 0.404 . . . . 64.319999999999993 110.836 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 3.6 mp -51.81 -56.2 15.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 73.109999999999999 110.912 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.13 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 70.040000000000006 111.069 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 12.0 tp -55.39 -54.52 42.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 70.510000000000005 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . . . . . . . . . 47.0 mm -53.71 -52.86 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 71.129999999999995 111.116 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -58.09 -44.33 87.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 65.030000000000001 110.902 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -53.67 -54.85 32.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 62.119999999999997 110.827 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -66.53 -37.73 85.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.120000000000005 110.848 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.92 -58.79 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 63.420000000000002 110.912 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -63.52 -38.86 92.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 70.209999999999994 110.905 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 35.4 t -61.34 -48.68 80.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 63.149999999999999 110.846 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.65 -54.39 36.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 62.140000000000001 110.93 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 4.8 t -56.03 -54.08 49.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.907 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 765' ' ' LEU . 8.1 tt -57.78 -37.83 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.329999999999998 110.937 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.72 -55.64 30.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 73.230000000000004 110.896 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 3.3 t -57.55 -54.63 44.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.439999999999998 110.845 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -55.42 -52.78 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 60.009999999999998 110.944 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -53.69 -40.59 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 65.120000000000005 110.876 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.73 -57.85 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.340000000000003 110.856 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.73 -49.01 58.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.924 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -66.57 -29.59 69.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 74.439999999999998 110.882 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -68.15 -59.01 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.519999999999996 110.819 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 778' ' ' VAL . 17.5 tp -60.29 -43.74 96.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 62.130000000000003 110.902 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 779' ' ' THR . 25.0 tp -62.47 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 110.913 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 777' ' ' ILE . 6.5 tt -61.45 -54.26 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.932 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 776' ' ' LEU . 41.9 mm -55.82 -56.98 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.129999999999995 111.142 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 782' ' ' VAL . 87.4 t -51.63 -62.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 111.164 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 775' ' ' LEU . 69.3 p -51.8 -40.43 60.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 60.130000000000003 111.162 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -58.58 -59.32 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 44.0 mm -53.46 -42.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 51.109999999999999 111.106 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 778' ' ' VAL . 86.3 t -58.77 -46.73 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.030000000000001 111.153 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.12 -54.19 19.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.9 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.62 -29.72 59.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.921 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 788' ' ' ARG . 27.7 tp -76.71 -25.68 53.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.019999999999996 110.926 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -52.31 -52.5 36.28 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.775 -0.726 . . . . 64.230000000000004 112.471 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -82.03 -26.23 33.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 75.319999999999993 110.858 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . 0.515 ' HB3' HD12 ' A' ' 785' ' ' LEU . 10.9 ttm180 -56.64 -25.92 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 70.239999999999995 110.828 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.95 -30.13 36.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.784 -0.722 . . . . 75.239999999999995 112.438 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -71.05 -61.84 1.61 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.782 0.325 . . . . 72.420000000000002 110.935 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.14 -53.89 50.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 72.319999999999993 110.839 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -51.06 -54.85 21.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 34.240000000000002 111.083 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 17.2 mt -51.42 -54.47 26.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.907 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -41.3 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 65.430000000000007 110.899 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -61.42 -53.71 52.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 62.539999999999999 110.946 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -52.59 -45.51 66.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 73.209999999999994 110.855 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -67.31 -53.13 32.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 74.230000000000004 110.952 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -51.6 -53.86 33.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 75.219999999999999 110.931 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -42.17 98.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 64.140000000000001 110.887 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 800' ' ' LEU . 3.1 tm? -57.06 -54.19 49.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 64.140000000000001 110.934 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -61.72 -37.34 83.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 74.230000000000004 110.908 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -60.14 4.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 110.942 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -58.67 -47.47 84.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.102 -0.499 . . . . 72.450000000000003 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 5.1 t -51.65 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 62.509999999999998 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -58.35 -33.73 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 63.549999999999997 110.929 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.28 -50.38 73.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.82 -35.11 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 74.420000000000002 110.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.52 -59.83 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 64.040000000000006 110.886 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -56.53 -44.8 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.549999999999997 110.896 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 12.5 t -63.15 -51.2 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.109999999999999 110.867 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.22 37.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 111.088 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.09 -37.91 79.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 61.530000000000001 111.139 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -65.84 -37.26 85.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.919 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.21 -44.83 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 110.963 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.73 -53.57 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 110.878 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -48.3 -42.77 31.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 53.310000000000002 111.072 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 53.6 m -60.01 -44.75 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 72.530000000000001 111.157 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.583 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.1 -28.35 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.530000000000001 111.096 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.25 -38.21 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 54.039999999999999 111.19 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -81.89 -26.41 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 52.310000000000002 111.108 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 827' ' ' ASP . 0.9 OUTLIER -85.41 -26.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 72.310000000000002 111.157 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -70.07 -15.22 62.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 61.509999999999998 111.08 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -68.34 -12.31 60.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . 112.46 -13.46 25.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.728 -0.749 . . . . 62.229999999999997 112.468 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 14.6 t -61.78 -17.48 56.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 71.200000000000003 111.116 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.784 ' HB2' HG22 ' A' ' 822' ' ' VAL . 35.4 t0 -51.58 -33.46 32.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 64.099999999999994 110.85 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 832' ' ' VAL . 0.0 OUTLIER -67.01 -58.13 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 64.409999999999997 110.858 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.66 -41.74 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 70.200000000000003 111.103 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.17 -45.51 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 111.12 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -58.28 -37.22 74.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 64.530000000000001 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 828' ' ' ARG . 93.9 t -74.11 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.239999999999995 111.07 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.53 -40.67 60.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.8 -55.46 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.909 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.52 -51.86 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 65.120000000000005 111.122 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.2 34.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 51.509999999999998 111.08 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -51.97 -58.1 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 62.310000000000002 110.933 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -54.92 -39.25 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 74.239999999999995 110.862 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.31 -60.58 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 44.399999999999999 111.073 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.471 ' O ' HD13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -57.67 -26.26 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 111.067 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.77 -30.92 32.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.835 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -77.49 -31.97 53.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.856 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.751 HD12 ' HG3' ' A' ' 849' ' ' GLN . 25.2 pt -79.96 145.28 61.06 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 74.109999999999999 111.139 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -171.66 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 73.400000000000006 112.361 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.34 70.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 64.140000000000001 110.845 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -131.92 160.31 36.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 72.519999999999996 110.923 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 11.8 tt -52.68 -36.3 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 73.129999999999995 111.11 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -55.33 -26.52 41.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 72.510000000000005 110.886 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . 0.751 ' HG3' HD12 ' A' ' 843' ' ' ILE . 8.1 tt0 -51.91 -45.99 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.409999999999997 110.924 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -68.53 -46.18 63.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 54.5 112.504 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 32.7 tp -52.39 -47.6 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 72.439999999999998 110.926 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.55 -37.18 57.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 62.299999999999997 110.893 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . 0.581 ' O ' HD23 ' A' ' 856' ' ' LEU . 0.6 OUTLIER -52.0 -49.81 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 71.200000000000003 110.865 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.27 -18.18 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 60.229999999999997 111.097 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 11.3 mt -93.91 19.15 9.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 70.340000000000003 110.946 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 853' ' ' ARG . 4.5 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.150000000000006 110.913 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.885 0.374 . . . . 71.120000000000005 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' LEU . . . . . . . . . . . . . 16.6 tp -53.46 -43.51 68.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 74.030000000000001 110.894 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -69.68 -26.68 64.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 64.120000000000005 111.132 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.44 -56.24 6.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.932 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 757' ' ' TRP . 2.3 pp -62.3 -40.23 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.019999999999996 111.105 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' TRP . . . . . 0.457 ' N ' HD12 ' A' ' 756' ' ' ILE . 5.9 t-105 -66.34 -48.09 71.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.92 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -55.27 -48.78 73.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.913 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -68.84 -32.85 72.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 110.893 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 756' ' ' ILE . 0.6 OUTLIER -60.86 -51.95 67.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 63.32 110.912 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -69.58 -46.73 65.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.864 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' SER . . . . . . . . . . . . . 1.7 t -57.29 -53.94 52.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.540000000000006 110.841 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 763' ' ' LEU . 10.3 tt -62.04 -52.23 64.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 35.200000000000003 110.901 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' CYS . . . . . . . . . . . . . 39.8 t -53.59 -40.26 65.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 71.040000000000006 110.881 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.94 -52.28 51.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.91 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -52.88 -57.46 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 71.150000000000006 110.914 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 17.3 t -56.81 -48.08 78.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 75.109999999999999 110.833 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -56.82 -42.9 80.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.040000000000006 110.937 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.12 -52.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 45.530000000000001 110.905 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.07 -57.46 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 60.130000000000003 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -48.52 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 71.120000000000005 110.891 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -66.63 -28.39 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.329999999999998 110.889 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -53.28 24.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 62.409999999999997 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 778' ' ' VAL . 0.2 OUTLIER -64.7 -44.04 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 54.109999999999999 110.923 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -42.27 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 42.039999999999999 110.899 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.49 -52.27 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.549999999999997 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.84 -57.94 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 111.104 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 782' ' ' VAL . 94.1 t -52.57 -60.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.140000000000001 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' THR . . . . . . . . . . . . . 95.5 m -51.51 -47.36 63.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 44.32 111.147 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -51.91 -52.89 46.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 73.450000000000003 110.894 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' ILE . . . . . . . . . . . . . 62.8 mt -63.74 -46.65 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.100000000000001 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 778' ' ' VAL . 98.3 t -50.83 -40.51 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 71.319999999999993 111.131 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -79.68 -47.24 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 70.150000000000006 110.871 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.49 -18.4 39.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 60.229999999999997 110.938 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 18.3 tp -92.66 -59.6 2.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 110.938 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -87.7 -55.8 2.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 73.140000000000001 112.449 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -23.19 10.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 52.140000000000001 110.847 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' ARG . . . . . 0.646 HH11 ' HB2' ' A' ' 792' ' ' ALA . 0.1 OUTLIER -49.39 -33.55 14.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 110.853 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' GLY . . . . . . . . . . . . . . . -52.68 -41.59 57.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 72.140000000000001 112.471 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -81.27 -29.79 34.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.717 0.294 . . . . 74.109999999999999 110.903 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.62 -58.24 8.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 72.329999999999998 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . 0.646 ' HB2' HH11 ' A' ' 788' ' ' ARG . . . -56.32 -55.0 38.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 40.299999999999997 111.06 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' LEU . . . . . . . . . . . . . 14.4 mt -49.55 -57.95 6.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 71.099999999999994 110.917 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.89 -46.2 60.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.902 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -52.78 -62.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.944 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -48.14 -42.31 29.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 72.349999999999994 110.926 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -66.03 -39.43 90.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 71.219999999999999 110.932 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -64.76 -56.65 12.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 60.409999999999997 110.925 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.27 -47.21 75.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 54.329999999999998 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.25 -57.13 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.349999999999994 110.897 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.12 -34.55 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -60.35 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 73.340000000000003 110.902 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -55.77 -48.74 74.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 72.120000000000005 110.88 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' SER . . . . . . . . . . . . . 7.9 t -51.59 -61.13 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 62.030000000000001 110.847 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -59.02 -28.27 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.530000000000001 110.952 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -37.88 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 110.906 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.78 -39.44 64.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 72.439999999999998 110.947 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 812' ' ' VAL . 1.0 OUTLIER -73.92 -38.74 64.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 60.409999999999997 110.854 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.76 -44.48 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 55.219999999999999 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 17.0 t -68.99 -45.84 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 53.119999999999997 110.881 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 74.439999999999998 111.099 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 808' ' ' LYS . 92.4 t -65.52 -38.21 81.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 73.200000000000003 111.152 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -66.42 -35.31 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.239999999999995 110.905 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' LEU . . . . . . . . . . . . . 4.7 tp -71.61 -44.02 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 41.229999999999997 110.905 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.09 -51.15 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 61.310000000000002 110.936 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -60.27 -58.55 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 71.409999999999997 110.886 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' ALA . . . . . . . . . . . . . . . -49.93 -43.01 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.040000000000006 111.141 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' THR . . . . . . . . . . . . . 50.1 m -62.86 -40.82 98.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.181 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 822' ' ' VAL . . . -68.11 -33.51 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.450000000000003 111.079 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.29 -34.39 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 63.450000000000003 111.158 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -84.13 -25.73 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 73.019999999999996 111.063 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 819' ' ' ALA . 1.4 p -86.64 -26.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.5 111.119 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -86.25 -25.01 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.135 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -96.83 17.13 17.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.888 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -52.41 -78.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 43.530000000000001 112.503 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 1.6 m -70.78 -17.55 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 72.349999999999994 111.099 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -51.73 -35.28 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 53.539999999999999 110.857 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 33.4 ttm-85 -64.92 -58.3 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 73.030000000000001 110.851 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.31 -39.26 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 111.076 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 42.2 mm -70.69 -35.43 60.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 73.349999999999994 111.14 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -68.02 -44.25 76.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 63.520000000000003 110.876 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.54 -39.5 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.319999999999993 111.103 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' LEU . . . . . . . . . . . . . 12.5 tp -71.38 -42.95 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.040000000000006 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -65.29 -50.03 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.530000000000001 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.9 -50.43 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.148 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -54.6 -56.87 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.209999999999994 111.113 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' TYR . . . . . 0.495 ' HA ' HD12 ' A' ' 840' ' ' ILE . 12.5 t80 -58.03 -38.91 77.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 65.349999999999994 110.958 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -54.35 47.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 72.109999999999999 110.872 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.3 96.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 64.239999999999995 111.102 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 837' ' ' TYR . 19.3 mt -62.1 -37.17 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.439999999999998 111.078 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -80.87 -27.42 36.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.927 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -75.62 -32.07 60.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 72.019999999999996 110.855 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.432 HD13 ' HE ' ' A' ' 846' ' ' ARG . 12.1 tt -83.32 131.2 53.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 74.049999999999997 111.164 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -48.89 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.709 2.273 . . . . 60.329999999999998 112.304 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.03 78.33 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 71.310000000000002 110.864 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' ARG . . . . . 0.432 ' HE ' HD13 ' A' ' 843' ' ' ILE . 23.8 ttm-85 -174.67 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 71.340000000000003 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' ILE . . . . . . . . . . . . . 6.9 tp -51.81 -30.57 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 42.020000000000003 111.113 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -63.22 -59.3 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 52.409999999999997 110.851 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -52.54 -39.56 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.530000000000001 110.924 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -70.22 -50.02 29.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 21.52 112.479 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 851' ' ' LEU . 0.5 OUTLIER -55.49 -37.65 68.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 50.32 110.897 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -82.92 -29.48 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.140000000000001 110.869 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -63.6 -47.93 79.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.209999999999994 110.887 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.9 -25.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 111.161 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -38.63 91.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 65.120000000000005 110.884 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 856' ' ' LEU . 4.6 pp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 50.020000000000003 110.932 179.883 . . . . . . . . 1 1 . 1 stop_ save_